%%====================================================================== %% WARNING: Do NOT edit this file. 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Chandrasekhar:2001:EEC,% Christianson:2000:ITC,% Zanuy:2003:TIP% }. \NAMECITE{-peptides}{% Beke:2004:FP,% Lin:2002:TSS% }. \NAMECITE{-phthalocyanines}{% Liao:2002:CSM% }. \NAMECITE{-pleated}{% Perczel:2005:SSP% }. \NAMECITE{-porphyrazines}{% Liao:2002:CSM% }. \NAMECITE{-quartz}{% Zicovich-Wilson:2004:CVF% }. \NAMECITE{-R}{% Li:2009:ICB% }. \NAMECITE{-radical}{% Chen:2009:EMI,% Chen:2009:EMI% }. \NAMECITE{-scaled}{% Carlsson:2003:IPE% }. \NAMECITE{-sheet}{% Klepeis:2003:PST,% Palfi:2008:HSC% }. \NAMECITE{-Si}{% Togo:2008:FPL% }. \NAMECITE{-sigmatropic}{% Lim:2006:TST% }. \NAMECITE{-{SO}}{% Zhang:2009:TUV% }. \NAMECITE{-stacked}{% Rodriguez-Ropero:2008:ICS% }. \NAMECITE{-stacking}{% Waller:2006:HDF% }. \NAMECITE{-step}{% Dai:2006:NCD% }. \NAMECITE{-strand}{% Gromiha:2004:NNB% }. \NAMECITE{-substituents}{% Piacenza:2008:TEE% }. \NAMECITE{-TCNE}{% Garcia-Yoldi:2007:OTE% }. \NAMECITE{-tensors}{% Kaupp:2002:CET% }. \NAMECITE{{}-terminal}{% Kolossvary:2001:HFL% }. \NAMECITE{-the}{% Vchirawongkwin:2007:TSS% }. \NAMECITE{{-TMPyP}}{% Arnaud:2003:TSI% }. \NAMECITE{-turns}{% Hu:2008:USV% }. \NAMECITE{-type}{% Ohtsuka:2001:ETT% }. \NAMECITE{/As}{% Kasalova:2005:SEA% }. \NAMECITE{{/CBS}}{% Lu:2009:GEA% }. \NAMECITE{/CCl}{% Zhang:2006:TMS% }. \NAMECITE{/CF}{% Yang:2009:TSR% }. \NAMECITE{{/Cs}}{% Golebiowski:2002:RSC% }. \NAMECITE{/empirical}{% Chen:2002:CIS% }. \NAMECITE{/free}{% Baker:2000:HIS% }. \NAMECITE{/Ge}{% Li:2002:MMG% }. \NAMECITE{{/GeH}}{% Li:2002:MMG% }. \NAMECITE{/Mn}{% Bu:2000:ODD% }. \NAMECITE{/poly}{% Borodin:2001:IQC% }. \NAMECITE{{0}}{% Bickelhaupt:2009:BRB,% Chien:2006:SSS,% Lipkowitz:2000:BRB,% Stanton:2000:BRB% }. \NAMECITE{{0-470-03735-0}}{% Bickelhaupt:2009:BRB% }. \NAMECITE{{0-471-33135-X}}{% Stanton:2000:BRB% }. \NAMECITE{{0-471-96588-X}}{% Lipkowitz:2000:BRB% }. \NAMECITE{{1}}{% Abrahao-Junior:2001:CAH,% Arenas:2009:PAB,% Barone:2001:NJC,% Bartels:2005:AFE,% Kruger:2008:ECS,% Niu:2009:HPC,% Sirois:2003:DFS,% Vilar:2007:IDS,% Wan:2009:CSC,% Wittayanarakul:2008:APP,% Yamabe:2004:CSR% }. \NAMECITE{1-}{% Chandra:2000:KHA% }. \NAMECITE{1-amino-3-propenal}{% Fores:2000:TCI% }. \NAMECITE{1-jk}{% Sapre:2008:CMT% }. \NAMECITE{1-naphthoic}{% Campomanes:2005:SBR% }. \NAMECITE{1-{pK}}{% Zarzycki:2004:SPA% }. \NAMECITE{{1-X-bicyclo}}{% Barone:2001:NJC% }. \NAMECITE{{1.0}}{% Aspuru-Guzik:2005:ZPQ% }. \NAMECITE{10-endoperoxide}{% Corral:2008:TIA% }. \NAMECITE{10-membered}{% Zhang:2009:EIM% }. \NAMECITE{{1174}}{% Wang:2005:EJW% }. \NAMECITE{{12}}{% Hori:2002:SCC% }. \NAMECITE{{12-crown-O}}{% Hori:2002:SCC% }. \NAMECITE{{1291}}{% Anonymous:2006:EFS% }. \NAMECITE{{1328}}{% Anonymous:2005:EDS% }. \NAMECITE{{142}}{% Anonymous:2006:EMC% }. \NAMECITE{{1629}}{% Wagoner:2004:EJW% }. \NAMECITE{1Z}{% Lu:2009:GEA% }. \NAMECITE{2}{% Barbe:2008:IDF,% Liang:2008:PDD,% Mishra:2002:ITS,% Pereira:2004:TSR,% Hofinger:2005:SPB,% Hori:2003:HQM,% Mo:2000:IQM,% Page:2003:GES,% Ren:2004:MGL,% Wan:2009:CSC% }. \NAMECITE{2-allyl-2}{% Zhu:2007:CIS% }. \NAMECITE{2-amino-2-imidazoline}{% Xue:2005:DSM% }. \NAMECITE{2-amino-2-oxazoline}{% Xue:2005:DSM% }. \NAMECITE{2-amino-2-thiazoline}{% Xue:2005:DSM% }. \NAMECITE{2'-aminoarabinonucleosides}{% Barbe:2008:IDF% }. \NAMECITE{2-{Aminopurine}}{% Sherer:2001:QCC% }. \NAMECITE{2'-aminoribonucleosides}{% Barbe:2008:IDF% }. \NAMECITE{2'-azido-2'-deoxyribonucleoside}{% Pereira:2004:TSR% }. \NAMECITE{2-chloro-}{% Jena:2008:RHA% }. \NAMECITE{2'-deoxyguanosine}{% Mishra:2002:ITS% }. \NAMECITE{2'-deoxyribose}{% Liang:2008:PDD% }. \NAMECITE{2-difluoroethane}{% Chandra:2000:KHA% }. \NAMECITE{2-dihaloethanes}{% Wong:2008:TCM% }. \NAMECITE{2-dihydro-pyrimidinyl}{% Wu:2008:TSH% }. \NAMECITE{2-dimethoxyethane}{% Lii:2003:AECb% }. \NAMECITE{2-electron}{% Anikin:2003:LBO% }. \NAMECITE{2-{H}}{% Lee:2007:DIC% }. \NAMECITE{2-oxazolidones}{% Okumoto:2001:CSB% }. \NAMECITE{2-oxo-1}{% Wu:2008:TSH% }. \NAMECITE{2-oxoimidazoles}{% Jena:2008:RHA% }. \NAMECITE{2-phenoxycarboxylic}{% Xue:2003:TSG% }. \NAMECITE{2-substituted}{% Oliva:2006:CSL,% Wiberg:2004:CES% }. \NAMECITE{2-thiouracil}{% Lamsabhi:2009:MDP% }. \NAMECITE{{2.0}}{% Grosdidier:2009:BDP% }. \NAMECITE{{21C7}}{% Golebiowski:2002:RSC% }. \NAMECITE{{21D8}}{% Ujaque:2003:CCT% }. \NAMECITE{{22}}{% Bofill:2001:RCQ,% Quapp:2001:CQR% }. \NAMECITE{{24}}{% Anonymous:2006:EMC% }. \NAMECITE{{25}}{% Kneller:2005:CUQ,% Wagoner:2004:EJW,% Wang:2005:EJW% }. \NAMECITE{{26}}{% Anonymous:2005:EDS% }. \NAMECITE{{27}}{% Anonymous:2006:EFS,% Anonymous:2006:EZX% }. \NAMECITE{{28}}{% Heringer:2012:EAE,% VanMourik:2008:CAB% }. \NAMECITE{{2B6}}{% Leong:2009:PHC% }. \NAMECITE{{2B6}-substrate}{% Leong:2009:PHC% }. \NAMECITE{{2H}}{% deSouza:2009:CMC% }. \NAMECITE{{2H}-tetrazole}{% deSouza:2009:CMC% }. \NAMECITE{{3}}{% Abu-Awwad:2000:VPB,% Kikugawa:2009:AMS,% Luttmann:2009:AMD,% Narumi:2009:CPG,% Rudolph:2005:AECc% }. \NAMECITE{3-butadiene}{% Hirao:2008:RBO,% Wong:2007:TCM% }. \NAMECITE{3-dihydroxypyridine}{% Yan:2004:TSS% }. \NAMECITE{3-dimethylallene}{% Zanasi:2007:CDN% }. \NAMECITE{3-fluorobutanal}{% Norberg:2008:MRR% }. \NAMECITE{3-hydroxy-2-mercaptopyridine}{% Yan:2004:TSS% }. \NAMECITE{3-trimethylsilyl-1-pyrazoline}{% Lim:2006:TST% }. \NAMECITE{{311}}{% Wiberg:2004:BSE% }. \NAMECITE{{31G}}{% Bolshakov:2007:PNB% }. \NAMECITE{31{G}*}{% Rassolov:2001:BST,% French:2001:HES,% Neihsial:2008:NHB% }. \NAMECITE{{31G**}}{% Wang:2004:SEA% }. \NAMECITE{{31G*/AMBER}}{% Freindorf:2005:LJP% }. \NAMECITE{{34}}{% Praprotnik:2008:NAA% }. \NAMECITE{3a}{% Honda:2008:ECD% }. \NAMECITE{3D}{% Du:2008:MFT,% Sapre:2009:GCO,% Castillo-Garit:2008:BBC,% Concu:2009:CCS,% Miyata:2008:CMD,% VanDamme:2009:CDP% }. \NAMECITE{{3D}-chiral}{% Castillo-Garit:2008:BBC% }. \NAMECITE{{3D-RISM}}{% Miyata:2008:CMD% }. \NAMECITE{{3D}-structure-function}{% Concu:2009:CCS% }. \NAMECITE{3DEX}{% Schreiber:2005:EEL% }. \NAMECITE{{4}}{% Lu:2009:GEA% }. \NAMECITE{4-carbonate}{% vanDroogenbroeck:2004:SMI% }. \NAMECITE{4-dihydropyridine-based}{% Hemmateenejad:2004:AIT% }. \NAMECITE{4-dimethylamino-benzonitrile}{% Zhao:2008:TDD% }. \NAMECITE{4-dithiacyclohexane}{% Freeman:2003:CSC% }. \NAMECITE{4-dithiane}{% Freeman:2003:CSC% }. \NAMECITE{4-{Spinor}}{% Pernpointner:2003:PFC% }. \NAMECITE{{43C9}}{% Chong:2003:DHA% }. \NAMECITE{45-ns}{% Saito:2007:NMD% }. \NAMECITE{4d}{% Cheng:2007:ESC% }. \NAMECITE{{4R}}{% Benzi:2002:QMS% }. \NAMECITE{{4R}-hydroxyproline}{% Benzi:2002:QMS% }. \NAMECITE{5}{% Liao:2008:TSP,% Pereira:2004:TSR,% Prabhakar:2005:CSV,% Tafipolsky:2007:IPM% }. \NAMECITE{5-di-tert-butyl-o-diiminobenzosemiquinonate}{% Bachler:2009:TDD% }. \NAMECITE{5'-diphosphates}{% Pereira:2004:TSR% }. \NAMECITE{5-hexadiene}{% Polo:2005:JSB% }. \NAMECITE{5-hexadiyne-3-enes}{% Prall:2001:SEB% }. \NAMECITE{5-hexatrienaldehyde}{% Zhu:2007:CIS% }. \NAMECITE{5-nitro-3-carboxybenzisoxazole}{% Ujaque:2003:CCT% }. \NAMECITE{5'-phosphate}{% Prabhakar:2005:CSV% }. \NAMECITE{5'-phosphate-dependent}{% Liao:2008:TSP% }. \NAMECITE{5-phospho-}{% Roux:2007:BPD% }. \NAMECITE{500-{MHz}}{% Corzana:2004:HSL% }. \NAMECITE{{53A5}}{% Oostenbrink:2004:BFF% }. \NAMECITE{{53A6}}{% Cao:2009:RDP,% Oostenbrink:2004:BFF% }. \NAMECITE{{6}}{% Bolshakov:2007:PNB,% Wiberg:2004:BSE% }. \NAMECITE{{6-311}}{% Wiberg:2004:BSE% }. \NAMECITE{{6-31G}}{% Bolshakov:2007:PNB% }. \NAMECITE{6-31G*}{% Freindorf:2005:LJP,% Rassolov:2001:BST,% French:2001:HES,% Neihsial:2008:NHB% }. \NAMECITE{{6-31G**}}{% Wang:2004:SEA% }. \NAMECITE{6-bisphosphatase}{% Mutyala:2007:CRB% }. \NAMECITE{67-residue}{% Meinke:2009:FED% }. \NAMECITE{{6G}}{% Vaiana:2003:MMF% }. \NAMECITE{7-species}{% Widjaja:2002:PCS% }. \NAMECITE{{790}}{% Anonymous:2006:EZX% }. \NAMECITE{7a}{% Honda:2008:ECD% }. \NAMECITE{8-nitroguanine}{% Jena:2007:FNO% }. \NAMECITE{8-oxoguanine}{% Fujimoto:2005:MDS,% Jena:2007:FNO,% Pinak:2003:OLB% }. \NAMECITE{9-heterofluorenes}{% Chen:2007:SEO% }. \NAMECITE{=}{% Bachler:2009:TDD,% Carballeira:2000:IIG,% Castillo:2008:BLE,% Garcia-Hernandez:2002:CSR,% Gourlaouen:2006:RGM,% Han:2001:DFS,% Harman:2005:CDD,% Helal:2002:ICS,% Honda:2008:ECD,% Huang:2009:DCE,% Huang:2009:ESO,% Jenkins:2000:BSC,% Kisowska:2008:SCB,% Lai:2008:TCH,% Li:2009:ICB,% Liu:2008:TSS,% Maroulis:2003:IDE,% Mckee:2007:MHE,% Mckee:2007:MNF,% Oncak:2008:ESP,% Rankin:2001:DFT,% Sun:2008:SSH,% Wang:2004:DID,% Wang:2009:FPS,% Wolff:2008:FPM,% Wu:2007:ESC,% Xie:2006:TSI,% Zeng:2007:EAH,% Zhang:2001:CRE,% Zhu:2003:TSS,% Zou:2009:CIC% }. \NAMECITE{{A*0201}}{% Wan:2004:LSM% }. \NAMECITE{{AA}}{% Kahn:2002:POA,% Kony:2002:IOA,% Price:2001:GPL,% Price:2005:DCB,% Xu:2007:MOA% }. \NAMECITE{{AA/L}}{% Komaromi:2008:DGR% }. \NAMECITE{Ab-initio}{% Hafner:2008:ISM,% Helal:2009:IMS% }. \NAMECITE{abasic}{% Fujimoto:2005:MDS% }. \NAMECITE{{ABEEM}}{% Yang:2006:SPC% }. \NAMECITE{{ABEEM/MM}}{% Yang:2006:SPC% }. \NAMECITE{abilities}{% Oda:2009:ESA% }. \NAMECITE{Ability}{% Goh:2001:AFA,% Rodriguez-Ropero:2008:MDC% }. \NAMECITE{ablation}{% Kong:2005:MNS% }. \NAMECITE{ablation-mass}{% Kong:2005:MNS% }. \NAMECITE{{ABO}}{% Wolff:2008:FPM% }. \NAMECITE{{ABSINTH}}{% Vitalis:2009:ANC% }. \NAMECITE{Absolute}{% Bartels:2005:AFE,% Zhang:2009:AFE,% Bringmann:2001:MBC,% Darian:2005:EAI% }. \NAMECITE{absorption}{% Ma:2008:SOA,% Matsuura:2006:AEA,% Yan:2004:TSS% }. \NAMECITE{abstraction}{% Altun:2006:SQM,% Chandra:2000:KHA,% Chandra:2003:ISS,% Galano:2001:OHA,% Ji:2007:KMH,% Li:2004:DDS,% Lu:2007:SSH,% Tejero:2007:PDS,% Wang:2004:DID,% Xiao:2002:DID% }. \NAMECITE{{Ac}}{% Garcia-Hernandez:2002:CSR% }. \NAMECITE{accelerate}{% Gonnet:2007:SAA% }. \NAMECITE{Accelerated}{% Lange:2006:FGA,% Luo:2002:APB,% Fajer:2009:UMF,% Harrison:2004:KSA% }. \NAMECITE{Accelerating}{% Friedrichs:2009:AMD,% Luttmann:2009:AMD,% Stone:2007:AMM% }. \NAMECITE{{Acceleration}}{% Kairys:2002:EDM% }. \NAMECITE{accelerator}{% Amisaki:2003:DHA% }. \NAMECITE{acceptance}{% Konig:2009:UUB% }. \NAMECITE{acceptor}{% Bil:2006:HRH,% Raub:2007:QCI% }. \NAMECITE{accessibility}{% Ahmad:2003:DTN,% Eyal:2004:ISA,% Gianese:2006:CPI,% Totrov:2004:AEG% }. \NAMECITE{accessible}{% Baker:2000:AMF,% Becue:2004:EPS,% Guvench:2004:EAA,% Hayryan:2005:NAM,% Leaver-Fay:2007:MSA,% Rychkov:2007:JNA,% Torrens:2001:NDI,% Tsodikov:2002:NCP,% Zhan:2009:CPN% }. \NAMECITE{accessible-surface-area}{% Zhan:2009:CPN% }. \NAMECITE{Accompanying}{% Ishida:2002:ACE% }. \NAMECITE{account}{% Mayer:2007:BOV,% Sinnecker:2006:QMC,% Vyazovkin:2001:MII% }. \NAMECITE{Accuracy}{% Fedorov:2007:ATB,% Goette:2009:ACF,% Pulay:2005:AEA,% Soderhjelm:2007:ADM,% Udier-Blagovic:2004:AFE,% Bieniasz:2004:IAS,% Fisher:2008:OIA,% Jagielska:2007:OIH,% Kristyan:2001:FAC,% Makowski:2006:EAE,% Merlitz:2004:FAA,% Ruvinsky:2005:NFS,% Shinoda:2003:RBD,% Szilagyi:2006:ADF% }. \NAMECITE{Accurate}{% Altman:2009:ASM,% Bofill:2000:AED,% Eckert:2006:APB,% Galstyan:2009:ARP,% Grimme:2004:ADV,% Haiduke:2006:ARAa,% Haiduke:2006:ARAb,% Hemmateenejad:2006:APB,% Ishida:2004:AFA,% Liu:2009:APT,% Matsuura:2006:AEA,% Totrov:2004:AEG,% Wang:2001:APP,% Wang:2002:APP,% Wittayanarakul:2008:APP,% Wu:2009:APH,% Artemyev:2004:FBS,% Bieniasz:2004:FOA,% Butler:2009:TAR,% Cho:2005:IAC,% Chocholousova:2006:BAR,% Gront:2007:BBQ,% Haiduke:2005:ARU,% Jenkins:2000:BSC,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc,% Vasilyev:2002:DED,% Walker:2008:IFA,% Zhou:2008:HAB,% vanEijck:2001:ICSa% }. \NAMECITE{accurately}{% Isayev:2007:TCC,% Santoro:2008:CTD% }. \NAMECITE{acetaldehyde}{% Lu:2009:GEA,% Yang:2008:DDS,% Lu:2009:GEA% }. \NAMECITE{Acetalization}{% Roy:2006:ATC% }. \NAMECITE{acetals}{% Milet:2006:RNS% }. \NAMECITE{acetamide}{% Cieplak:2001:MMM% }. \NAMECITE{acetate}{% Gao:2008:CQM,% Pacios:2006:VAC% }. \NAMECITE{acetic}{% Mirzaei:2008:CNS,% Yamabe:2003:CSI% }. \NAMECITE{acetonitrile}{% Eckert:2009:PAA,% Grabuleda:2000:MDS,% Nikitin:2007:NSS% }. \NAMECITE{acetylcholine}{% Grazioso:2008:ANA,% Manojkumar:2005:TIM% }. \NAMECITE{acetylcholinesterase}{% Manojkumar:2005:TIM% }. \NAMECITE{acetylcholinesterase-catalyzed}{% Manojkumar:2005:TIM% }. \NAMECITE{acetylene}{% Dallos:2002:DEM% }. \NAMECITE{{AcF}}{% Garcia-Hernandez:2002:CSR% }. \NAMECITE{acid}{% Calaminici:2002:MLF,% Campomanes:2005:SBR,% Chen:2009:PIM,% Cieplak:2001:MMM,% Dirks:2003:PFA,% Dirks:2004:ACN,% Du:2006:HML,% Du:2007:PRD,% Fan:2007:CLS,% Herzog:2006:EBP,% Hofto:2009:IAT,% Iwaoka:2003:SFF,% Iwaoka:2009:SFF,% Jakli:2000:PMX,% Jena:2008:RHA,% Jha:2005:FFV,% Kirschner:2003:MMF,% Lin:2007:UPA,% MacCallum:2003:CWC,% Makowska:2005:TCH,% Marabotti:2008:EBP,% Mirzaei:2008:CNS,% Nakagawa:2007:PMP,% Nguyen:2005:CEI,% Niu:2009:HPC,% Pacios:2006:CSP,% Rungnim:2005:DFS,% Ryjacek:2003:NPC,% Sayano:2000:MMC,% Sherer:2003:FAM,% Shukla:2004:TIN,% Simpson:2009:MSA,% Sklenar:2006:UIC,% Soares:2005:INA,% Ueno-Noto:2006:RTS,% Villa:2002:CFE,% Xiao:2006:UPA,% Xiao:2008:UGD,% Xu:2007:MOA,% Yamabe:2003:CSI,% Yu:2009:ECS,% Zhang:2007:EPW,% Zhang:2008:EPW,% Zhou:2006:CSG,% vanDroogenbroeck:2004:SMI% }. \NAMECITE{acid-3}{% vanDroogenbroeck:2004:SMI% }. \NAMECITE{acid-catalyzed}{% Rungnim:2005:DFS% }. \NAMECITE{acid-nucleotide}{% Marabotti:2008:EBP% }. \NAMECITE{acidity}{% Eckert:2009:PAA% }. \NAMECITE{acids}{% Bohm:2006:CEF,% Chatfield:2003:MDC,% Christianson:2000:ITC,% Foloppe:2000:AAE,% Harvey:2003:MNA,% Hill:2004:RSP,% Iwaoka:2009:SFF,% Kedzierski:2001:ATA,% Liao:2008:TSP,% MacKerell:2000:AAE,% Macias:2005:CII,% Nguyen:2005:CEI,% Ode:2008:FFP,% Prabhu:2008:EII,% VanEijck:2002:CSP,% Xue:2003:TSG,% Yu:2009:CSR,% Zheng:2009:STC% }. \NAMECITE{{AcO}}{% Garcia-Hernandez:2002:CSR% }. \NAMECITE{across}{% Han:2004:FPP,% Shinoda:2008:EFE,% Swart:2006:PAM% }. \NAMECITE{act}{% Goh:2001:AFA% }. \NAMECITE{actinide}{% Adamo:2000:SPL,% Garcia-Hernandez:2002:CSR,% Noro:2007:RCB,% Vetere:2003:CSQ% }. \NAMECITE{Activation}{% Ekanayake:2006:ABD,% Brookes:2009:IPL,% Burda:2005:HPA,% Cai:2009:NIL,% Cerqueira:2004:RAE,% Karipidis:2008:DEN,% Lu:2009:GEA,% Pykavy:2007:SQC,% Rivalta:2006:MAC,% Vyazovkin:2001:MII% }. \NAMECITE{active}{% Alhambra:2000:HBI,% Brothers:2004:PCZ,% Carvalho:2006:DBA,% Carvalho:2009:RVA,% Fiaty:2004:ADA,% Fiaty:2005:SAT,% Harvey:2006:QMM,% Hasegawa:2007:ESG,% Herrmann:2006:SSP,% Junquera-Hernandez:2005:MAS,% Kedzierski:2000:NAN,% Koca:2003:CNZ,% Loferer:2003:QMI,% Matsubara:2008:IEE,% Prabhakar:2006:DSM,% Rutkowska-Zbik:2007:TDF,% Siegbahn:2005:QCM,% Sousa:2007:TSF,% Tye:2006:CBC,% Xiong:2008:DSP% }. \NAMECITE{active-site}{% Sousa:2007:TSF% }. \NAMECITE{activities}{% Hemmateenejad:2009:AMA,% Motoki:2004:NRS,% Zhou:2009:CAC% }. \NAMECITE{activity}{% Alvarez-Ginarte:2008:APR,% Bour:2001:CRO,% Chaumont:2002:MQT,% Daga:2008:SPS,% Delgado:2001:PID,% Du:2008:MFT,% Du:2009:FBQ,% Filizola:2001:GPP,% Gonzalez-Diaz:2008:UQN,% Liegeois:2009:VRO,% Mitra:2009:QAP,% Shalabi:2002:FAF,% Wan:2004:QSA,% Zerara:2008:PCP% }. \NAMECITE{acylation}{% Manojkumar:2005:TIM,% Massova:2002:PKM% }. \NAMECITE{adaptable}{% Kruger:2008:ECS% }. \NAMECITE{Adaptation}{% Huang:2005:AFF% }. \NAMECITE{adapted}{% Frediani:2004:NDS,% Haiduke:2006:ARAa,% Haiduke:2006:ARAb,% Li:2007:TSV,% Pomelli:2001:SAT% }. \NAMECITE{Adaptive}{% Baker:2000:AMF,% Holst:2000:AMF,% Holst:2001:EAM,% Horenko:2003:AIM,% Horenko:2005:AAN,% Duan:2001:ATC,% Giese:2008:EAT,% Ozkan:2004:CSP,% Rajamani:2003:IAU,% Shen:2004:HPS,% Wu:2009:OBC,% Liu:2008:EBO% }. \NAMECITE{addition}{% Bobrowski:2002:ISM,% DeJong:2005:OAE,% Lamprecht:2000:MMF,% Muino:2005:OCR,% Ramirez-Anguita:2009:FPDb,% Rungnim:2005:DFS,% Wang:2008:DFS,% Wright:2009:SCC% }. \NAMECITE{addition-elimination}{% Muino:2005:OCR% }. \NAMECITE{additions}{% Arnaud:2000:QMS% }. \NAMECITE{Additive}{% Guvench:2008:AEF,% Cieplak:2001:MMM,% Luman:2001:PAC% }. \NAMECITE{adenine}{% Kumar:2004:TSS,% Schreiber:2007:SBA% }. \NAMECITE{adenine-thymine}{% Kumar:2004:TSS% }. \NAMECITE{adenosine}{% Mutyala:2007:CRB,% Yuzlenko:2009:MMA% }. \NAMECITE{{ADF}}{% teVelde:2001:CA% }. \NAMECITE{adiabatic}{% Sunoj:2001:CID,% Tautermann:2003:EMA% }. \NAMECITE{{ADMA}}{% Exner:2003:IQP% }. \NAMECITE{admissible}{% Widjaja:2002:PCS% }. \NAMECITE{adrenergic}{% Yuzlenko:2009:MMA% }. \NAMECITE{adsorbate}{% Buenker:2002:UEM% }. \NAMECITE{adsorbed}{% Das:2009:PPV,% Persson:2000:ICS,% Xue:2009:SOS% }. \NAMECITE{Adsorption}{% Aquino:2003:AOS,% Bushenkov:2000:AIE,% Bushenkov:2001:AIE,% Hegemann:2008:ASC,% Zotti:2008:ABF,% Nakai:2006:EDA,% Santos:2006:QQS,% Szabelski:2004:KEM,% Wang:2005:RBA,% Zarzycki:2004:SPA,% Zarzycki:2005:RSH% }. \NAMECITE{{Adun}}{% Johnston:2005:FBD% }. \NAMECITE{advanced}{% Leon:2001:MAT% }. \NAMECITE{advances}{% Merino:2007:RAP% }. \NAMECITE{Advancing}{% Pilme:2008:ABC% }. \NAMECITE{affect}{% Altun:2006:SQM% }. \NAMECITE{affinities}{% Arenas:2009:PAB,% Donnini:2004:CAP,% Kasalova:2005:SEA,% Kumar:2004:TSS,% Li:2002:MMG,% Mutyala:2007:CRB,% Swart:2006:PAM,% Wei:2008:ATM,% Zeng:2007:EAH,% Zhao:2004:ACT,% deSouza:2000:CPA% }. \NAMECITE{affinity}{% Almlof:2004:BAP,% Frison:2008:CSS,% Grazioso:2008:ANA,% Karney:2005:MCP,% Kim:2008:APL,% Lee:2009:SEE,% Li:2009:NMP,% Marechal:2006:DSR,% Russo:2000:TDE,% Saito:2005:FEC,% Sims:2005:RCD,% Zhou:2009:CAC% }. \NAMECITE{affording}{% Okumoto:2001:CSB% }. \NAMECITE{after}{% Takahashi:2003:TSM% }. \NAMECITE{Ag}{% Gourlaouen:2006:RGM,% Liu:2008:TSS,% Nakamura:2006:TPA,% Schreiber:2007:SBA,% Wu:2009:OBC% }. \NAMECITE{against}{% Sherrill:2009:ASF% }. \NAMECITE{{AGBNP}}{% Gallicchio:2004:AAI% }. \NAMECITE{{AgBr}}{% Shalabi:2002:FAF% }. \NAMECITE{agent}{% Lee:2006:ABS% }. \NAMECITE{agent-based}{% Lee:2006:ABS% }. \NAMECITE{aggregate}{% Kiyota:2009:MQM% }. \NAMECITE{aggregates}{% Andrushchenko:2008:CDE% }. \NAMECITE{aggregation}{% Irback:2006:PMC,% Oakley:2005:LMP% }. \NAMECITE{{AgN}}{% Zhu:2008:ISE% }. \NAMECITE{agonists}{% Grazioso:2008:ANA,% Sgrignani:2009:IDS% }. \NAMECITE{Agreement}{% Lundberg:2005:ABE% }. \NAMECITE{aided}{% Porwal:2007:PSP% }. \NAMECITE{AIM}{% Soler:2004:FTA,% Chamorro:2003:EPD,% Wang:2003:PEM% }. \NAMECITE{{AIM2000}}{% Anonymous:2001:A,% Biegler-Konig:2002:UAP% }. \NAMECITE{{AIM2000-Program}}{% Biegler-Konig:2002:UAP% }. \NAMECITE{Al}{% Oncak:2008:ESP,% Wang:2009:FPS,% VanMourik:2008:CAB,% Kim:2008:RMD,% Qu:2005:ESS,% Wang:2009:FPS% }. \NAMECITE{{al.}}{% Ryjacek:2003:NPC% }. \NAMECITE{Ala}{% Perczel:2000:TDD% }. \NAMECITE{alanine}{% Distasio:2007:IAA,% Echenique:2006:QMC,% Galano:2001:OHA,% Gil:2009:IIC,% Gresh:2004:IIE,% Hudaky:2004:SMI,% Huo:2002:CAS,% Jang:2006:MPC,% Loeffler:2001:CSD,% Maul:2007:DSU,% Moreira:2007:CAS,% Perczel:2003:PMX,% Quapp:2007:FTS,% Wang:2004:SEA,% Zhang:2009:EIM,% Zoete:2006:IIS% }. \NAMECITE{albicans}{% Roux:2007:BPD% }. \NAMECITE{Alchemical}{% Blondel:2004:EVF% }. \NAMECITE{alcohol}{% Ferrari:2006:SPS,% Jongejan:2001:DHT,% Kuttel:2002:CSS% }. \NAMECITE{alcohol/water}{% Ferrari:2006:SPS% }. \NAMECITE{Alcohols}{% Allinger:2003:AEC,% Lii:2003:AECa,% Lii:2003:AECb,% Lii:2003:AECc% }. \NAMECITE{aldehydes}{% Langley:2001:MMM% }. \NAMECITE{{Alder}}{% Hirao:2008:RBO% }. \NAMECITE{algebra}{% Ahlrichs:2002:ELA% }. \NAMECITE{algebraic}{% Torii:2002:ICM% }. \NAMECITE{Algorithm}{% Gonzalez:2007:AERa,% Gonzalez:2007:AERb,% Kamiya:2003:ANM,% Murga:2001:NAC,% Wu:2012:LER,% Alexeev:2007:PDD,% Allen:2006:DPE,% Anderson:2006:MSR,% Aspuru-Guzik:2005:SAE,% Baker:2002:EPA,% Ball:2002:ENA,% Bandyopadhyay:2008:SOA,% Budin:2001:SBL,% Bui:2007:WAM,% Busa:2009:ETM,% Cai:2002:FAE,% Chen:2009:MSA,% Cho:2005:MDH,% Chuev:2004:WAS,% Daeyaert:2007:AAC,% Dirks:2003:PFA,% Dirks:2004:ACN,% Distasio:2007:IAA,% Duca:2007:IID,% Dyrka:2008:IFT,% Fisher:2008:OIA,% Frediani:2004:NDS,% Galvan:2008:IEN,% Georgiev:2008:MDE,% Girones:2004:TFE,% Goncalves:2004:NAH,% Gonnet:2007:SAA,% Gront:2007:BBQ,% Habershon:2003:DMP,% Heinz:2004:FPC,% Hom:2006:SAF,% Huang:2005:AFF,% Ishida:2004:AFA,% Ishimura:2006:NPA,% Ishimura:2007:NPA,% Jacquemin:2002:IAD,% Kamiya:2001:RAS,% Kawata:2000:CEC,% Kent:2007:EAF,% Kloppmann:2007:EDE,% Krautler:2001:FSA,% Krautler:2006:MTS,% Lin:2007:SVM,% Lloyd:2005:SIE,% Lorenzo:2003:BCB,% Luo:2009:AES,% Malcolm:2003:ADI,% Malcolm:2003:IAL,% Medvedev:2006:ATD,% Milani:2007:GAD,% Nakamura:2002:MCS,% Olano:2005:FCN,% Pernpointner:2003:PFC,% Rapallo:2006:AUS,% Rurainski:2009:CLS,% Sanville:2007:IGB,% Shen:2004:HPS,% Sklenar:2006:UIC,% Song:2009:EAE,% Stern:2004:SAI,% Strassner:2002:MPF,% Takashima:2002:NPA,% Tuffery:2005:IGA,% Verma:2007:AAN,% Wu:2003:DAG,% Wu:2009:OBC,% Yang:2000:FLD,% Yang:2005:MAO,% Zhang:2003:CIS,% Zhang:2008:REE,% Zhu:2007:SOS,% vanLenthe:2012:LEE% }. \NAMECITE{Algorithms}{% Loksha:2009:SSH,% Barash:2003:ISL,% Bofill:2000:AED,% Cecchini:2004:ADH,% Cortes:2004:GAC,% Crocker:2005:MAP,% Djurdjevic:2006:IPF,% Forester:1998:SRR,% Forester:2000:ESR,% Hageman:2003:PPI,% Kim:2009:CSP,% OBoyle:2008:CLP,% Oakley:2005:LMP,% Rico:2004:EAC,% Stepanenko:2008:NTS,% Thormann:2001:MDF,% Vasilkoski:2004:DCM,% Wang:2001:APF,% Yang:2006:GAP,% vanLenthe:2012:LEE,% Holst:2000:AMF,% Holst:2001:EAM% }. \NAMECITE{alignment}{% Bandyopadhyay:2008:SOA,% Chen:2009:ACP,% Chen:2009:MSA,% Hahnke:2009:PPA,% Rathinavelan:2007:ETF,% Vilar:2008:QMA,% Leherte:2006:SMB% }. \NAMECITE{alignment-free}{% Vilar:2008:QMA% }. \NAMECITE{aliphatic}{% McQuaid:2004:DVC,% Schuler:2001:IGF% }. \NAMECITE{alkali}{% Jimenez-Halla:2009:TAT,% Jimenez-Halla:2011:ETA,% Wang:2008:DSC,% Zheng:2009:DSC% }. \NAMECITE{alkalimetal}{% Bickelhaupt:2007:CVI% }. \NAMECITE{alkaline}{% Jimenez-Halla:2009:TAT,% Jimenez-Halla:2011:ETA% }. \NAMECITE{alkaloid}{% Bringmann:2001:MBC% }. \NAMECITE{alkane}{% Hayes:2004:FFD% }. \NAMECITE{alkanes}{% Bailey:2009:MSE,% VandeStreek:2002:IEC% }. \NAMECITE{alkyl}{% Bohm:2006:CEF,% Capar:2007:OEE,% Exner:2004:EFM,% Liu:2009:APT% }. \NAMECITE{alkyl-cyanobiphenyl}{% Capar:2007:OEE% }. \NAMECITE{alkylation}{% Ekanayake:2006:ABD,% Villa:2000:EWM% }. \NAMECITE{alkynes}{% Wang:2008:DFS% }. \NAMECITE{All-atom}{% Foloppe:2000:AAE,% MacKerell:2000:AAE,% Verma:2007:AAN,% Guvench:2004:EAA,% Iwaoka:2003:SFF,% MacCallum:2003:CWC,% Praprotnik:2008:NAA,% Rosso:2008:SDP,% Wroblewska:2007:CPB,% Jagielska:2007:ITF% }. \NAMECITE{All-electron}{% Evarestov:2009:AEL,% Inaba:2005:AED,% Inaba:2007:DPD% }. \NAMECITE{all-purpose}{% Johnston:2005:FBD% }. \NAMECITE{all-siliceous}{% Larin:2008:CEF,% Larin:2008:EFC% }. \NAMECITE{allene}{% Wang:2001:HRE,% Zhao:2007:CDQ% }. \NAMECITE{allenes}{% Wang:2009:RMP% }. \NAMECITE{allocation}{% Sanville:2007:IGB% }. \NAMECITE{allosteric}{% Li:2009:CTP% }. \NAMECITE{Allostery}{% Seno:2006:ATS% }. \NAMECITE{alloys}{% Gillessen:2009:CSF,% Kurtulus:2006:ESC% }. \NAMECITE{allyl}{% Zhu:2007:CIS% }. \NAMECITE{{AlNC}}{% Mok:2001:ICS% }. \NAMECITE{alpha}{% Gront:2007:BBQ% }. \NAMECITE{Alpha7}{% Grazioso:2008:ANA% }. \NAMECITE{{AlPO}}{% Praprotnik:2008:NAA% }. \NAMECITE{altered}{% Das:2009:FES% }. \NAMECITE{alternating}{% Yang:2005:TSE% }. \NAMECITE{alternation}{% Jacquemin:2008:RRB% }. \NAMECITE{aluminophosphate}{% Larin:2007:QSE% }. \NAMECITE{aluminum}{% Talarico:2000:ECI% }. \NAMECITE{always}{% Kolafa:2004:TRA% }. \NAMECITE{{Alzheimer}}{% Massi:2003:SDA% }. \NAMECITE{{AM1}}{% Davila:2002:AMT,% Freire:2005:MLC,% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Liddell:2004:ASS,% Rocha:2006:RRA,% Thompson:2003:PCM,% Villar:2005:ALP% }. \NAMECITE{{AM1-BCC}}{% Jakalian:2000:FEG,% Jakalian:2002:FEG% }. \NAMECITE{AMBER}{% Anonymous:2006:EZX,% Wang:2005:EJW,% Case:2005:ABS,% Freindorf:2005:LJP,% Jagielska:2007:OIH,% Jojart:2007:PGA,% Meagher:2003:DPP,% Oda:2005:NAF,% Torras:2008:VAG,% Walker:2008:IFA,% Wang:2004:DTG,% Wang:2006:SBO,% Wroblewska:2007:CPB% }. \NAMECITE{{AMBER*C}}{% Christianson:2000:ITC% }. \NAMECITE{{AMBER95}}{% Ono:2000:PFE% }. \NAMECITE{ambiguous}{% Betancourt:2001:FNH% }. \NAMECITE{{Amica}}{% Gdanitz:2005:RAE% }. \NAMECITE{amidase}{% Chong:2003:DHA% }. \NAMECITE{amide}{% Cieplak:2001:MMM,% Gil:2009:IIC,% Luman:2001:PAC,% Sun:2009:APE,% Yoshida:2003:MMM,% Imai:2009:AIB% }. \NAMECITE{{Amide-}}{% Imai:2009:AIB% }. \NAMECITE{amides}{% Campomanes:2005:SBR,% Kang:2006:KBD% }. \NAMECITE{amine}{% Okumoto:2003:CSE,% Prabhakar:2003:CMR% }. \NAMECITE{amines}{% Chen:2007:MMM% }. \NAMECITE{amino}{% Chatfield:2003:MDC,% Chen:2009:PIM,% Christianson:2000:ITC,% Du:2006:HML,% Du:2007:PRD,% Fores:2000:TCI,% Herzog:2006:EBP,% Hofto:2009:IAT,% Iwaoka:2003:SFF,% Iwaoka:2009:SFF,% Jakli:2000:PMX,% Kedzierski:2001:ATA,% Kirschner:2003:MMF,% Liao:2008:TSP,% Lin:2007:UPA,% MacCallum:2003:CWC,% Macias:2005:CII,% Marabotti:2008:EBP,% Niu:2009:HPC,% Ryjacek:2003:NPC,% Santos:2006:QQS,% Sayano:2000:MMC,% Villa:2002:CFE,% Xiao:2006:UPA,% Xiao:2008:UGD,% Xu:2007:MOA,% Xue:2005:DSM,% Yu:2009:CSR,% Yu:2009:ECS,% Zheng:2009:STC,% Zhou:2006:CSG% }. \NAMECITE{amino-cyclopentene}{% Santos:2006:QQS% }. \NAMECITE{aminoarabinonucleosides}{% Barbe:2008:IDF% }. \NAMECITE{{Aminopurine}}{% Sherer:2001:QCC% }. \NAMECITE{aminoribonucleosides}{% Barbe:2008:IDF% }. \NAMECITE{aminosubstituted}{% Takahashi:2001:TPV% }. \NAMECITE{ammonia}{% Harman:2005:CDD% }. \NAMECITE{ammonolysis}{% Umanskii:2001:TKI% }. \NAMECITE{among}{% Ikeda:2003:HHI,% Lu:2007:SSH,% Wroblewska:2007:CPB% }. \NAMECITE{amorphous}{% Curco:2004:PSM,% Curco:2007:CGP,% Curco:2007:CTM,% Siegert:2007:GDP% }. \NAMECITE{{AMP}}{% Fukuzawa:2006:III,% Fukuzawa:2007:III% }. \NAMECITE{amplitude}{% Katzer:2005:ITT% }. \NAMECITE{Amyloid}{% Barman:2009:IMM,% Massi:2003:SDA% }. \NAMECITE{amyloidogenic}{% Clarke:2009:IAP% }. \NAMECITE{amylose}{% Naidoo:2001:WSA% }. \NAMECITE{anabolic}{% Alvarez-Ginarte:2008:APR% }. \NAMECITE{analgesic}{% Cruz-Monteagudo:2008:DBM% }. \NAMECITE{analogs}{% Aleksandrov:2009:MMM,% Bartels:2005:AFE,% Fiorentino:2006:SVD,% French:2001:HES,% Herzog:2006:EBP,% Lopez:2006:CVE,% MacCallum:2003:CWC,% Villa:2002:CFE% }. \NAMECITE{analogue}{% Langella:2002:CAT,% Wu:2008:QMS% }. \NAMECITE{analogues}{% Benzi:2002:QMS,% Wang:2002:APP,% Xi:2006:DGQ,% Zamora:2008:RIC% }. \NAMECITE{analyses}{% Bochicchio:2003:DAV,% Cao:2005:CAS,% DelCarmenMichelini:2005:ETA,% Higo:2002:HSH,% Hirao:2008:RBO,% Remmert:2009:EAC% }. \NAMECITE{Analysis}{% Custodio:2006:ASC,% Endo:2001:AXX,% Huang:2008:APP,% Kedzierski:2001:ATA,% Lee:2008:AES,% Urata:2002:AII,% Urata:2004:AII,% Yao:2008:ASD,% Abrahao-Junior:2001:CAH,% Allen:2009:GMG,% Arenas:2009:PAB,% Beck:2007:HRA,% Bruni:2002:CAN,% Bu:2000:ODD,% Bultinck:2002:GPD,% Bultinck:2007:ALP,% Chang:2003:TCA,% Cioslowski:2001:FPC,% Corcho:2004:CAC,% Cortes:2004:GAC,% Curco:2007:CTM,% Daeyaert:2007:AAC,% DelCarmenMichelini:2004:ETA,% Distasio:2007:IAA,% Elstner:2003:MZB,% Fedorov:2007:PIE,% Formaneck:2006:UGB,% Fuster:2000:DSS,% Glykos:2006:SNU,% Goodman:2007:DFN,% Grafton:2007:VFW,% Guerra:2004:VDD,% Haranczyk:2008:SSO,% Headley:2000:TAF,% Horenko:2005:AAN,% Hudaky:2005:TDD,% Imamura:2008:EDA,% Jakli:2000:PMX,% Jayaram:2002:FEC,% Jung:2004:CMF,% Kahn:2002:POA,% Kahn:2008:IEF,% Kalat:2002:QPG,% Kamiya:2003:ANM,% Kawamura:2004:HAC,% Kedzierski:2000:NAN,% Kent:2007:EAF,% Knight:2000:RPD,% Langella:2002:CAT,% Lin:2005:DGO,% Malrieu:2007:EBE,% Massi:2003:SDA,% Meller:2002:MFG,% Merlitz:2004:FAA,% Moad:2007:NVD,% Mobli:2005:QVC,% Nakai:2006:EDA,% Novoselov:2002:CST,% ODonohue:2000:PNT,% Otsuka:2007:WTA,% Perczel:2003:TDD,% Pettersen:2004:UCV,% Pilme:2008:ABC,% Pinsky:2003:SAE,% Polo:2007:NIB,% Ponec:2003:CSA,% Ponec:2005:CSA,% Ponec:2007:EPC,% Ponec:2008:SBB,% Rog:2003:MPP,% Ruedenberg:2007:WDE,% Sandberg:2009:CAH,% Schlund:2008:CAA,% Smellie:2003:CAI,% Soler:2004:FTA,% Sousa:2009:CAP,% Swart:2001:CAD,% Tamaoki:2005:STF,% Titmuss:2002:CLS,% Tokmachev:2001:SIS,% Tokmachev:2006:EGF,% Tran:2001:CATa,% Tran:2001:CATb,% Ujaque:2003:CCT,% VanZeist:2008:PSY,% Volkov:2009:BSD,% Wu:2003:DAG,% Yao:2005:CGR,% Yim:2008:AMA,% Zamora:2008:RIC,% Zerara:2008:PCP,% Zhou:2009:CAC,% Zou:2009:HPQ,% Zubarev:2007:CAC,% Nakamura:2009:RKD,% Ruvinsky:2007:RBE,% VanDamme:2009:CDP,% Ruedenberg:2007:EWD,% VanDamme:2007:NCP% }. \NAMECITE{analytic}{% Alexeev:2007:PDD,% Dudley:2006:PCP,% Gallicchio:2004:AAI,% Izzo:2000:OCI,% Koslowski:2003:IGM,% Lee:2003:ENA,% Lee:2003:NAA,% Sun:2009:APE% }. \NAMECITE{Analytical}{% Heringer:2007:AES,% Heringer:2012:EAE,% Pinsky:2008:AMC,% Quinet:2001:ATS,% Quinet:2002:ATS,% Rico:2004:AMR,% Wang:2002:AEG,% Distasio:2007:IAA,% Haberthur:2008:FFA,% Hayryan:2005:NAM% }. \NAMECITE{analyze}{% Alvarez-Ginarte:2008:APR,% Hamacher:2007:ITM,% Marabotti:2007:NCS% }. \NAMECITE{analyzing}{% Dai:2008:USM,% Liao:2005:GAA% }. \NAMECITE{andradite}{% Zicovich-Wilson:2008:ISI% }. \NAMECITE{anesthetics}{% Tang:2001:EIC,% Tang:2001:ICS% }. \NAMECITE{{AnF}}{% Han:2001:DFS% }. \NAMECITE{Anglada}{% Bofill:2001:RCQ,% Quapp:2001:CQR% }. \NAMECITE{angle}{% Chen:2005:ATA,% Fischer:2007:IBC,% Lee:2007:IAH,% Omori:2009:LRT,% Yang:2006:GAP% }. \NAMECITE{angles}{% Fiorentino:2006:SVD,% Frickenhaus:2009:EES,% Holt:2008:ICM,% Whitnell:2008:CMV% }. \NAMECITE{angular}{% Giese:2008:EAT% }. \NAMECITE{anharmonic}{% Begue:2007:VAC,% Danecek:2007:CNS,% Gohaud:2005:NPS,% Luo:2009:AES% }. \NAMECITE{anilido}{% Gherman:2006:CSR% }. \NAMECITE{anilido-imine}{% Gherman:2006:CSR% }. \NAMECITE{Anion}{% Jug:2006:ASZ,% Chaumont:2002:MQT,% Dobrogorskaia-Mereau:2005:QCM,% Escudero:2009:IBA,% Gresh:2004:CDI,% Qu:2002:TSM,% Qu:2003:DFI,% Venkatesan:2006:JTP,% Wei:2007:TIE% }. \NAMECITE{anion-}{% Escudero:2009:IBA% }. \NAMECITE{anionic}{% Alemany:2008:RCE,% Haranczyk:2008:SSO,% Pacios:2006:VAC% }. \NAMECITE{anions}{% Cui:2008:SSE,% Kumar:2004:TSS,% Lee:2009:SEE,% Li:2002:MMG,% Owens:2005:SCE,% Zhao:2004:ACT% }. \NAMECITE{anisotropic}{% Benzi:2005:BCF% }. \NAMECITE{anisotropy}{% Gresh:2004:IIE% }. \NAMECITE{{ANN}}{% Hemmateenejad:2004:AIT% }. \NAMECITE{annealing}{% Agostini:2006:GSA,% Cai:2002:FAE,% Corcho:2004:CAC,% Hart:2000:ESB,% Kamiya:2001:RAS,% Lee:2005:EMD,% Lee:2008:RES,% Marun:2005:FCP,% Widjaja:2002:PCS% }. \NAMECITE{annexin}{% Merzel:2006:NFF% }. \NAMECITE{Announcement}{% Editorship:2004:A% }. \NAMECITE{Announcements}{% Anonymous:2005:A% }. \NAMECITE{annulation}{% Geng:2008:TER% }. \NAMECITE{anomeric}{% Carballeira:2000:IIG,% Carballeira:2001:RAE,% Cramer:2001:WAE,% Lii:2003:AECa,% Vila:2007:AMI% }. \NAMECITE{ant}{% Chen:2009:ACP,% Chen:2009:MSA,% Daeyaert:2007:AAC% }. \NAMECITE{antara}{% Lopez:2007:PDD% }. \NAMECITE{antara-antara}{% Lopez:2007:PDD% }. \NAMECITE{anthracene}{% Corral:2008:TIA,% Cuesta:2009:URC,% Hirama:2003:PMH% }. \NAMECITE{anthracene-9}{% Corral:2008:TIA% }. \NAMECITE{antibacterial}{% Yang:2009:PAC% }. \NAMECITE{antibody}{% Chong:2003:DHA,% Saito:2005:FEC,% Tantillo:2002:TSD,% Ujaque:2003:CCT% }. \NAMECITE{antibody-catalyzed}{% Tantillo:2002:TSD% }. \NAMECITE{anticancer}{% Burda:2005:HPA,% Pereira:2004:MRR,% Spiegel:2008:PAB% }. \NAMECITE{antifungals}{% Gonzalez-Diaz:2008:UQN% }. \NAMECITE{antigenic}{% Wan:2004:LSM% }. \NAMECITE{antiinflammatory}{% Cruz-Monteagudo:2008:DBM% }. \NAMECITE{antilipid}{% Mitra:2009:QAP% }. \NAMECITE{antimicrobials}{% Gonzalez-Diaz:2008:UQN% }. \NAMECITE{antitumor}{% Kraka:2001:PDP,% Wysokinski:2001:PDD% }. \NAMECITE{apatite}{% Rabone:2006:IPM% }. \NAMECITE{Applicability}{% Davila:2002:AMT,% Putz:2004:AHP,% Queralt:2008:AMS% }. \NAMECITE{applicable}{% Price:2005:DCB% }. \NAMECITE{Application}{% Alves-Santos:2006:ASD,% Chen:2005:ATA,% Distasio:2007:IAA,% Guvench:2002:AFA,% Han:2001:AMS,% Hemmateenejad:2004:AIT,% Hemmateenejad:2008:AQT,% Hemmateenejad:2009:AMA,% Kerber:2008:ASL,% Kikugawa:2009:AMS,% Kirchhoff:2001:ASB,% Matta:2003:AQT,% Mazur:2009:ADT,% Tan:2009:AER,% Tsuchimochi:2008:ASS,% Blomgren:2001:ETB,% Chae:2001:FMS,% Chandrasekhar:2001:EEC,% Dai:2007:LRM,% Dennis:2002:SSO,% Fedorov:2004:NHP,% Fukuzawa:2005:IQM,% Georgiev:2008:MDE,% Gooding:2000:FPQ,% Hall:2000:AHQ,% Jang:2006:MPC,% Johnston:2005:FBD,% Kleinschmidt:2002:SOC,% Kolossvary:2001:HFL,% Lamprecht:2000:MMF,% Lee:2003:ENA,% Lee:2003:NAA,% Lee:2007:IAH,% Li:2004:MHA,% Liao:2009:BCM,% Liu:2007:NCC,% Loferer:2003:QMI,% Luo:2009:AES,% Mo:2000:IQM,% Motoki:2004:NRS,% Patel:2004:CFCa,% Rathinavelan:2007:ETF,% Rudolph:2005:AECa,% Slipchenko:2007:EEE,% Totrov:2004:AEG,% Vreven:2000:AII,% Williams:2001:IIFb,% Wong:2007:TCM,% Zhang:2007:NID,% 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\NAMECITE{chief}{% Lipkowitz:2000:BRB% }. \NAMECITE{{CHIMERA}}{% Novoselov:2002:CST,% Pettersen:2004:UCV% }. \NAMECITE{chip}{% Hofinger:2005:SPB% }. \NAMECITE{Chiral}{% Zanasi:2007:CDN,% Castillo-Garit:2008:BBC,% Szabelski:2008:SSH,% Zhou:2006:CSG% }. \NAMECITE{chirality}{% Castillo-Garit:2008:BBC,% Pinsky:2008:AMC% }. \NAMECITE{chiraly}{% Szabelski:2004:KEM% }. \NAMECITE{chlorinated}{% Delgado:2001:PID,% Wang:2007:TSM% }. \NAMECITE{chlorine}{% Ji:2007:KMH,% Ji:2008:TDS,% Wang:2007:IDD,% Xiao:2002:DID% }. \NAMECITE{chloro}{% Jena:2008:RHA% }. \NAMECITE{chloroform}{% Cieplak:2001:MMM% }. \NAMECITE{chloroform/water}{% Cieplak:2001:MMM% }. \NAMECITE{chlorophylls}{% Linnanto:2004:SPM% }. \NAMECITE{Choice}{% Duke:2001:CSO% }. \NAMECITE{{Cholesky}}{% Schweizer:2008:LSC% }. \NAMECITE{chorismate}{% Hall:2000:AHQ% }. \NAMECITE{chromium}{% Rivalta:2006:MAC% }. \NAMECITE{chromophore}{% Das:2003:EEG,% Hasegawa:2007:ESG,% Kiyota:2009:MQM,% Xie:2005:EEG% }. \NAMECITE{Chun}{% Anonymous:2006:EZX% }. 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\NAMECITE{closure}{% Coutsias:2004:KVL,% DiBenedetto:2000:NPE,% Mak:2008:RCS,% Sklenar:2006:UIC% }. \NAMECITE{Cluster}{% Apgar:2009:CEM,% Crippen:2004:CDG,% Basch:2004:RBS,% Begue:2001:DFF,% Bredow:2001:DCC,% Buenker:2002:UEM,% Imamura:2008:EDA,% Janetzko:2008:BDD,% Kim:2008:RMD,% Klopper:2001:EIB,% Li:2002:LSL,% Li:2007:TSV,% Li:2008:LAC,% Mckee:2007:MHE,% Morita:2001:INI,% Morita:2002:WPC,% Nakai:2006:EDA,% Piacenza:2008:TEE,% Swart:2007:ELN,% Venkatesan:2006:JTP,% Watanabe:2001:CXR,% Wheatley:2008:TDC,% Wu:2008:TSH% }. \NAMECITE{cluster-continuum}{% Wu:2008:TSH% }. \NAMECITE{cluster/adsorbate}{% Buenker:2002:UEM% }. \NAMECITE{clustered}{% Fujimoto:2005:MDS% }. \NAMECITE{clustering}{% Carpenter:2002:APA,% Frickenhaus:2009:EES,% Li:2005:SFS,% Liu:2008:RIT,% Rassokhin:2001:NMM,% Zhang:2004:SCA% }. \NAMECITE{clusters}{% Baker:2000:EGO,% Borras-Almenar:2001:SNU,% Cervellino:2006:EEF,% Conte:2007:DEF,% Derepas:2002:CWU,% Grybos:2009:INM,% He:2008:SSL,% Herrmann:2006:SSP,% 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Karipidis:2008:DEN% }. \NAMECITE{{CoA}}{% Li:2008:QSM% }. \NAMECITE{coagulation}{% Perera:2002:PSS% }. \NAMECITE{Coarse}{% Curco:2007:CGP,% Eom:2007:CGP,% Voltz:2008:CGF,% Clarke:2009:IAP,% DeSancho:2007:ECG,% Doruker:2002:DLP,% He:2009:EPS,% Masella:2008:CPF,% Poulain:2008:IPD,% Schluttig:2008:CMD,% Wang:2009:SDE% }. \NAMECITE{Coarse-grained}{% Voltz:2008:CGF,% Clarke:2009:IAP,% Doruker:2002:DLP,% He:2009:EPS,% Masella:2008:CPF,% Schluttig:2008:CMD,% Wang:2009:SDE% }. \NAMECITE{Coarse-graining}{% Curco:2007:CGP,% Eom:2007:CGP% }. \NAMECITE{coastline}{% Ujaque:2003:CCT% }. \NAMECITE{cobalamins}{% Kuta:2006:PDM% }. \NAMECITE{cobalt}{% Loffler:2006:WED% }. \NAMECITE{cocaine}{% Zhan:2005:FPS% }. \NAMECITE{cocrystals}{% Cho:2005:MDH% }. \NAMECITE{code}{% Bubel:2000:MMB,% Ferrero:2008:CSP,% Gdanitz:2005:RAE,% Geudtner:2006:PDC,% Giese:2008:EAT,% Pascale:2004:CVF% }. \NAMECITE{codification}{% Castillo-Garit:2008:BBC% }. \NAMECITE{coding}{% Liao:2009:BCM% }. \NAMECITE{coefficient}{% Curutchet:2003:TFC,% Yan:2009:EED% }. \NAMECITE{coefficients}{% Cieplak:2001:MMM,% Delgado:2001:PID,% Gidofalvi:2009:CDE,% Golmohammadi:2009:POW,% Li:2009:ICB,% Wheatley:2008:TDC% }. \NAMECITE{coenzyme}{% Wu:2008:QMS% }. \NAMECITE{cofactor}{% Mckee:2007:MHE,% Mckee:2007:MNF% }. \NAMECITE{cofactors}{% Anonymous:2006:EMC,% Ceccarelli:2003:IFF% }. \NAMECITE{Cohesive}{% Voloshina:2008:CPC% }. \NAMECITE{coil}{% Orzechowski:2002:TCC% }. \NAMECITE{coiled}{% Orzechowski:2002:TCC% }. \NAMECITE{coiled-coil}{% Orzechowski:2002:TCC% }. \NAMECITE{collagen}{% Palfi:2008:HSC,% Park:2005:NSM% }. \NAMECITE{collagen-like}{% Park:2005:NSM% }. \NAMECITE{collapse}{% Meirovitch:2002:PCP% }. \NAMECITE{{Colle}}{% Imamura:2008:CST% }. \NAMECITE{collections}{% Cheng:2002:CPC% }. \NAMECITE{Collective}{% Chiu:2000:CMA,% Higo:2001:CMM,% Leherte:2008:CMR,% Sklenar:2006:UIC% }. \NAMECITE{collide}{% Cramer:2001:WAE% }. \NAMECITE{collinear}{% VanWullen:2002:SDT% }. \NAMECITE{collision}{% Vasilkoski:2000:GPF,% Vasilkoski:2004:DCM,% Tamaoki:2005:STF% }. \NAMECITE{Collisions}{% Panczyk:2007:CIG% }. \NAMECITE{collocated}{% Chen:2009:PIM% }. \NAMECITE{collocation}{% Chen:2008:PPS% }. \NAMECITE{collocation-based}{% Chen:2008:PPS% }. \NAMECITE{colony}{% Chen:2009:ACP,% Chen:2009:MSA% }. \NAMECITE{comb}{% Leon:2001:MAT% }. \NAMECITE{comb-like}{% Leon:2001:MAT% }. \NAMECITE{Combination}{% Miyata:2008:CMD,% Dallos:2002:DEM,% Ghulghazaryan:2007:ECW,% Higo:2001:CMM,% Kuhn:2004:PPS,% deSancho:2008:EMC% }. \NAMECITE{combinations}{% Zhou:2006:CSG% }. \NAMECITE{combinatorial}{% Agrafiotis:2001:MSC,% Gillessen:2009:CSF% }. \NAMECITE{Combined}{% Chen:2002:CIS,% Gao:2008:CQM,% Kover:2009:CNT,% Rajamani:2002:CQM,% Zhao:2007:CDQ,% Balucani:2001:GPD,% Berente:2007:CEE,% Borini:2005:CFC,% Chae:2001:FMS,% Darkhovskii:2003:LHS,% Derosa:2009:CSD,% Freindorf:2005:LJP,% Kamiya:2001:RAS,% Kawata:2000:CEC,% Lee:2009:CIF,% Moon:2006:CQC,% Oostenbrink:2009:EFE,% Titmuss:2002:CLS,% Vreven:2003:GOQ,% Wu:2009:APH,% Xiong:2008:DSP% }. \NAMECITE{Combining}{% Masella:2008:CPF,% Sauer:2000:CQM,% Hnizdo:2008:ECC,% Kawamura:2004:HAC,% Liu:2009:APT,% Zhang:2009:AFE,% Kieseritzky:2008:IPC,% Latek:2007:PSP% }. \NAMECITE{comblike}{% Leon:2002:IPS,% Zanuy:2003:TIP% }. \NAMECITE{CoMFA}{% Jung:2004:CMF% }. \NAMECITE{Comment}{% Csontos:2008:RCA,% Jorgensen:2012:LEC,% Kneller:2005:CUQ,% Quapp:2001:CQR,% VanMourik:2008:CAB,% Bofill:2001:RCQ,% Coutsias:2005:RSL,% Wu:2012:LER,% vanLenthe:2012:LEE% }. \NAMECITE{Comments}{% Martin:2009:CMG% }. \NAMECITE{Common}{% Zheng:2007:CSS% }. \NAMECITE{commonly}{% El-Sherbiny:2004:ERP,% Sousa:2009:CAP% }. \NAMECITE{Comp}{% Heringer:2012:EAE,% Kneller:2005:CUQ% }. \NAMECITE{compact}{% Kristyan:2009:IPT% }. \NAMECITE{comparably}{% Price:2002:MPF% }. \NAMECITE{Comparative}{% Corcho:2004:CAC,% Garcia-Hernandez:2002:CSR,% Liao:2002:CSM,% Schluttig:2008:CMD,% Sousa:2009:CAP,% Stortz:2005:CPM,% Vetere:2003:CSQ,% Corzana:2004:HSL,% Formaneck:2006:UGB,% Frison:2008:CSS,% Goh:2001:AFA,% Hugosson:2006:CTS,% Jung:2004:CMF,% Kruger:2001:DSH,% Lee:2007:CSM,% McDowell:2008:CSS,% Piacenza:2007:CQC,% Prabhakar:2005:CSV,% Talarico:2000:ECI,% Wan:2009:CSC,% Evarestov:2008:FPD,% Ju:2009:GDT% }. \NAMECITE{compared}{% Inada:2008:ENB,% Jurecka:2007:DFT% }. \NAMECITE{{Comparing}}{% Jha:2005:FFV% }. \NAMECITE{Comparison}{% Alkorta:2003:CED,% Bour:2000:CHF,% Christ:2009:CTE,% Danecek:2007:CNS,% David:2000:CGB,% Greatbanks:2000:CEP,% Krol:2003:CVI,% Sun:2006:CIS,% Sun:2007:CSE,% Titmuss:2002:CLS,% Walker:2007:CBS,% Wang:2003:CLD,% Yu:2009:CSR,% Zhan:2009:CPN,% Alonso:2006:PMM,% Blomgren:2005:EPE,% Feig:2004:PCG,% Fores:2000:TCI,% Gonzalez-Diaz:2007:CCC,% Grafton:2007:VFW,% Hermida-Ramon:2003:IIP,% Jiang:2002:CPE,% Lai:2007:COR,% Liu:2008:RIT,% Lu:2009:ICH,% Martin:2005:CDW,% Mitchell:2000:MSP,% Monticelli:2008:MSM,% Moon:2006:CQC,% Patra:2004:SCF,% Prabhakar:2003:CMR,% Roy:2008:DMI,% Schaefer:2001:EAV,% Seda:2005:SES,% Swart:2007:ELN,% Wagoner:2004:EJW,% Wagoner:2004:SFB,% Wagoner:2005:ESF,% Barthe:2002:HMP,% Curutchet:2003:ECS,% Curutchet:2006:DRC,% Linnanto:2004:SPM,% Nanias:2005:PSP,% Ono:2000:PFE,% Piacenza:2008:TEE,% Salvador:2001:EBI,% Shukla:2004:TIN,% Soderhjelm:2007:ADM,% Wang:2004:ECL,% Yuzlenko:2009:MMA,% Zhang:2001:SMP,% Zhou:2006:CSG% }. \NAMECITE{{Comparisons}}{% Gresh:2005:RZI% }. \NAMECITE{{COMPASS}}{% McQuaid:2004:DVC% }. \NAMECITE{compatible}{% Brothers:2004:PCZ,% Krautler:2006:MTS% }. \NAMECITE{competing}{% Howard:2004:ICH% }. \NAMECITE{competitive}{% Facchini:2003:CRB% }. \NAMECITE{complementarity}{% Exner:2002:PRSb% }. \NAMECITE{Complete}{% Benassi:2000:CBS,% Min:2008:CBS,% Pogliani:2003:CGC,% Porta:2007:CMM,% Porta:2008:CMM,% Moon:2006:CQC,% Varandas:2009:MPP,% Wang:2001:HRE% }. \NAMECITE{completeness}{% Auer:2002:BSC,% Manninen:2006:SGB% }. \NAMECITE{completeness-optimized}{% Manninen:2006:SGB% }. \NAMECITE{Complex}{% Delalande:2009:CMA,% Aleksandrov:2006:TMC,% Bachler:2009:TDD,% Bushenkov:2000:AIE,% Bushenkov:2001:AIE,% Gohlke:2004:CFE,% Hnizdo:2007:NNN,% Hori:2002:SCC,% Huo:2002:CAS,% Infante:2004:QMS,% Infante:2006:QMS,% Ishida:2004:AFA,% Jiang:2003:NTI,% Klein:2002:ICS,% Kosmopoulou:2006:CEL,% Li:2005:DPT,% Liu:2009:TDD,% Martinez:2003:POA,% Marun:2005:FCP,% Morita:2008:PCSa,% Morita:2008:PCSb,% Nakashima:2006:RBF,% Pacios:2006:CSP,% Zhou:2009:CAC% }. \NAMECITE{complexation}{% Alcaro:2007:QFA,% Harman:2005:CDD,% Liddell:2004:ASS,% Skowronek:2000:WDC,% Sunoj:2001:CID% }. \NAMECITE{complexed}{% Pinak:2003:OLB,% Suarez:2002:MDS,% Wan:2004:LSM% }. \NAMECITE{Complexes}{% Antony:2005:CTC,% Adamo:2000:SPL,% Anonymous:2006:EFS,% Atanasov:2006:DMC,% Barman:2009:IMM,% Basch:2004:RBS,% Bil:2006:HRH,% Bosque:2000:PSP,% Brookes:2009:IPL,% Burda:2005:HPA,% Cao:2005:CAS,% Chang:2003:TCA,% Chang:2008:EEC,% Chval:2008:TES,% Curutchet:2003:EDM,% Darkhovskii:2003:LHS,% Deeth:2004:PND,% Freire:2005:MLC,% Frison:2008:CSS,% Fuhrmann:2009:NMG,% Futera:2009:IPS,% Gherman:2006:CSR,% Gillilan:2004:ODP,% Goh:2001:AFA,% Gourlaouen:2006:RGM,% Gresh:2005:RZI,% Grimme:2004:ADV,% Grosdidier:2009:BDP,% Gu:2007:IGQ,% Han:2006:DCM,% Hermida-Ramon:2007:BSH,% Imamura:2008:EDA,% Inada:2008:ENB,% Isayev:2007:TCC,% Jayaram:2002:FEC,% Jin:2009:SBS,% Jurecka:2007:DFT,% Karipidis:2008:DEN,% Kaupp:2002:CET,% Kim:2007:CVM,% Lamprecht:2000:MMF,% Lee:2006:ABS,% Lehnert:2006:ESI,% Li:2002:TIE,% Li:2006:TMB,% Liao:2003:PAD,% Liddell:2004:ASS,% Lin:2009:NHD,% Lu:2009:ICH,% Lundberg:2005:ABE,% Masamura:2004:EBS,% McDowell:2008:CSS,% Merzel:2006:NFF,% Meyer:2001:DFS,% Min:2008:CBS,% Nakashima:2006:BFP,% Neugebauer:2004:VCL,% Nobeli:2001:EKB,% Pacios:2006:VAC,% Queralt:2008:AMS,% Rani:2007:ESB,% Razumov:2001:MMC,% Ruiz:2003:ACE,% Schreiber:2007:SBA,% Sousa:2009:CAP,% Strassner:2002:MPF,% Studt:2006:TSM,% Suresh:2008:RSW,% Tiraboschi:2000:PIM,% Upadhyay:2003:ISM,% Valdes:2002:IDS,% Vetere:2003:CSQ,% Vicens:2000:DFS,% Waller:2007:VCG,% Wang:2008:DSC,% Wong:2009:NIS,% Zhang:2001:CRE,% Zhang:2003:CIS,% Zheng:2009:DSC,% Zhou:2009:DNI,% deViterbo:2001:ANN% }. \NAMECITE{complexes*}{% Galstyan:2009:ARP% }. \NAMECITE{complexity}{% Benassi:2000:CBS,% Petrella:2005:EEF,% Xiao:2006:UPA% }. \NAMECITE{Component}{% Kenny:2004:CBI,% Curutchet:2003:ECS,% Gourlaouen:2006:RGM,% Jayaram:2002:FEC,% Pernpointner:2000:PFC,% Pernpointner:2003:PFC,% Saue:2002:FCR,% Shi:2008:IME,% VanWullen:2002:SDT,% Widjaja:2002:PCS% }. \NAMECITE{Component-based}{% Kenny:2004:CBI% }. \NAMECITE{Components}{% Kenny:2008:CIE,% Carpenter:2002:CPC,% Lin:2007:UPA,% Tiraboschi:2000:PIM% }. \NAMECITE{composition}{% Hom:2006:SAF,% Kar:2007:SSB,% Lin:2007:UPA,% Patil:2008:GCC,% Xiao:2006:UPA,% Xiao:2008:UGD% }. \NAMECITE{Compound}{% Choe:2005:EAC,% Ballester:2007:USR,% Harvey:2006:QMM,% Rocha:2000:CIR,% Xie:2005:EEG% }. \NAMECITE{compounds}{% Allinger:2003:AEC,% Binning:2008:HSV,% Bobrowski:2002:ISM,% Chen:2002:CIS,% Delgado:2001:PID,% El-Bergmi:2000:SNB,% Estrada:2004:QCD,% Ewig:2001:DCI,% Fan:2008:TSF,% Ferrero:2008:CSP,% Fukaya:2004:DGC,% Golmohammadi:2009:POW,% Goraczko:2001:MMF,% Jiang:2003:NTI,% Knippenberg:2006:GFS,% Langley:2001:MMCa,% Langley:2001:MMCb,% Langley:2001:MMCc,% Langley:2001:MMM,% Langley:2003:MMM,% Launay:2005:TSS,% Lee:2008:AES,% Li:2007:EPT,% Liao:2006:APD,% Lii:2003:AECa,% Lii:2003:AECb,% Lii:2003:AECc,% Lin:2007:SVM,% Lopes:2009:PEF,% Munoz:2004:PEB,% Nakata:2004:ETS,% Nakata:2004:TSE,% Pascale:2004:CVF,% Ponec:2003:CSA,% Price:2001:GPL,% Roy:2006:ATC,% Shen:2004:HPS,% Stanger:2001:SIB,% Toropov:2009:QME,% Yang:2009:PAC,% Yoshida:2003:MMM% }. \NAMECITE{Comprehensive}{% Liu:2002:CRI,% Zou:2009:CIC,% Zubarev:2007:CAC,% Deng:2008:CTS,% Jakli:2000:PMX,% Seda:2005:SES% }. \NAMECITE{compression}{% Braga:2007:MDS,% Mitin:2003:PSI% }. \NAMECITE{comprising}{% Rudolph:2005:AECb,% Rudolph:2005:AECc% }. \NAMECITE{Comput}{% Bofill:2001:RCQ,% Quapp:2001:CQR,% VanMourik:2008:CAB% }. \NAMECITE{Computation}{% Basilevsky:2006:CHF,% Carpenter:2002:CPC,% Cheng:2002:CPC,% Fan:2007:CLS,% Gidofalvi:2009:CDE,% Lopez:2006:CVE,% Tuzun:2000:CIC,% Amisaki:2003:DHA,% Gonnet:2007:SAA,% Nakamura:2002:NMP,% Patil:2008:GCC,% Ruvinsky:2005:NFS,% Wu:2007:SSC,% Zhang:2003:MCF,% vanWullen:2006:NIC% }. \NAMECITE{Computational}{% Anonymous:2001:NSJ,% Anonymous:2004:PNSb,% Anonymous:2005:EDS,% Anonymous:2006:EFS,% Anonymous:2006:EMC,% Anonymous:2006:EZX,% Busch:2008:CPD,% Cao:2005:CAS,% Concu:2009:CCS,% Cruz-Monteagudo:2007:CCD,% Cruz-Monteagudo:2008:CCA,% Cummins:2005:CMS,% Curco:2007:CTM,% Gdanitz:2005:RAE,% Gonzalez-Diaz:2007:CCC,% Gonzalez-diaz:2007:CCA,% Huo:2002:CAS,% Lee:2004:CSC,% Lipkowitz:1999:RCC,% Lipkowitz:2000:BRB,% Momany:2000:CSC,% Moreira:2007:CAS,% Okumoto:2003:CSE,% Pacios:2006:CSP,% Sapre:2008:CMT,% Schleyer:1998:ECC,% Stanton:2000:BRB,% Torrent:2002:CSR,% Wagoner:2004:EJW,% Wang:2005:EJW,% Wu:2008:CSD,% Young:2011:CCP,% Zhou:2006:CSG,% Zhou:2009:CAC,% Bachler:2004:SCS,% Baker:2000:HIS,% Balucani:2001:GPD,% Barman:2009:IMM,% Beuve-Mery:2001:PAC,% Burda:2005:HPA,% Campomanes:2005:SBR,% Catlow:2008:ZOC,% Chang:2008:EEC,% Chen:2003:SSS,% Chowdry:2007:OOL,% Facchini:2003:CRB,% Ford:2007:AFC,% Freeman:2003:CSC,% Fritsch:2008:TMD,% Ganesh:2009:MSC,% Gillessen:2009:CSF,% Gonzalez-Diaz:2008:UQN,% Gonzalez-diaz:2007:RCN,% Gonzalez:2007:AERa,% Kozhin:2003:NVS,% Marabotti:2007:NCS,% McDowell:2003:CSL,% Mirzaei:2008:CNS,% OBoyle:2008:CLP,% Okumoto:2001:CSB,% Oliva:2006:CSL,% Panczyk:2007:CIG,% Prabhakar:2005:CSV,% Prall:2001:SEB,% Putz:2004:AHP,% Rosso:2008:ICS,% Sabzyan:2007:EFE,% Shinoda:2003:RBD,% Suarez:2008:POC,% Tchougreeff:2008:CSC,% Visscher:2002:DEQ,% Vizcarra:2008:IPD,% Wei:2009:PCT,% Wladkowski:2003:HCP,% Yamabe:2003:CSI,% Yamabe:2004:CSR,% Yang:2006:MSC,% Zhang:2008:REE,% Zhu:2007:CIS,% Zotti:2008:ABF,% Zoete:2006:IIS,% Woods:2001:BRB% }. \NAMECITE{Computationally}{% Kawata:2000:CEC,% Kaminski:2003:CIM% }. \NAMECITE{Computations}{% Bour:2001:CRO,% Dibble:2005:CXT,% Carbonniere:2005:VCB,% Gresh:2005:RZI,% Lu:2009:GEA,% Musch:2006:DMN,% Pogliani:2006:HPM,% Song:2005:XPI,% Tarasov:2008:NCM% }. \NAMECITE{compute}{% Bubel:2000:MMB,% Rodriguez:2009:EGB% }. \NAMECITE{computed}{% Perczel:2003:PMX,% Petrella:2005:EEF,% Tye:2006:CBC% }. \NAMECITE{computer}{% Hnizdo:2003:STI,% Hofinger:2005:SPB,% Naidoo:2001:WSA,% Pang:2001:ECP,% Partay:2008:NMD,% Tsodikov:2002:NCP,% Umeda:2009:PFM,% VanDamme:2007:NCP,% Volkov:2009:BSD,% Yang:2008:QCS,% Zerara:2008:PCP% }. \NAMECITE{Computing}{% Horng:2003:CMC,% Wells:2000:CSE,% Busa:2009:ETM,% Davies:2002:PRM,% Dirks:2004:ACN,% Duan:2001:ATC,% Georgiev:2008:MDE,% Hayryan:2005:NAM,% Karney:2005:MCP,% Lorenzo:2003:BCB,% Miura:2009:ITT,% Zagrovic:2003:SVD% }. \NAMECITE{{CONAN}}{% Smellie:2003:CAI% }. \NAMECITE{concave}{% Wong:2009:NIS% }. \NAMECITE{concentration}{% Gruziel:2008:PBM% }. \NAMECITE{concept}{% Lu:2002:GTN,% Raos:2000:IMF,% Rudolph:2005:AECa% }. \NAMECITE{Conceptual}{% VanDamme:2009:CDP% }. \NAMECITE{Concerning}{% Facchini:2003:CRB,% Borosky:2003:TSC% }. \NAMECITE{concerted}{% Lopez:2007:PDD,% Mckee:2007:MNF,% Norberg:2008:MRR,% Lim:2006:TST% }. \NAMECITE{condensed}{% Cacelli:2009:FFM,% Donchev:2008:APG,% Duan:2003:PCF,% Foloppe:2000:AAE,% Geerke:2009:DCF,% Morita:2002:WPC,% Schuler:2001:IGF,% Zwier:2007:HMD% }. \NAMECITE{condensed-phase}{% Duan:2003:PCF% }. \NAMECITE{condition}{% Seo:2008:NSC% }. \NAMECITE{conditions}{% Bekker:2004:MON,% Cordomi:2007:EDT,% Heinz:2004:FPC,% Wassenaar:2006:EBS% }. \NAMECITE{{Condon}}{% Amatatsu:2002:ISE,% Lee:2009:CIF,% Toniolo:2001:ECF% }. \NAMECITE{conduction}{% Shi:2006:DEP% }. \NAMECITE{conductor}{% Dolney:2000:USM,% Fu:2006:CMT% }. \NAMECITE{conductor-like}{% Dolney:2000:USM,% Fu:2006:CMT% }. \NAMECITE{Configuration}{% Leininger:2001:SSS,% Sunoj:2001:CID,% Autschbach:2002:DRE,% Bringmann:2001:MBC,% Dallos:2002:DEM,% Koslowski:2003:IGM,% Li:2007:TSV,% Ma:2006:MCI,% Pitarch-Ruiz:2002:RCS,% Pitarch-Ruiz:2008:FCI,% Shepard:2002:RCE,% Song:2004:PVB% }. \NAMECITE{configurational}{% Hnizdo:2007:NNN,% Hnizdo:2008:ECC% }. \NAMECITE{configurations}{% Martinez:2003:POA,% Martinez:2009:PPB% }. \NAMECITE{Conformation}{% Gresh:2004:CDI,% Bao:2006:TSR,% Bathe:2003:IMC,% Butler:2009:TAR,% Devereux:2009:TIF,% Liu:2007:NCC,% Perczel:2003:PMX,% Yang:2006:GAP,% Yang:2006:SPC% }. \NAMECITE{Conformation-dependent}{% Gresh:2004:CDI% }. \NAMECITE{Conformational}{% Abrahao-Junior:2001:CAH,% Aschi:2004:CFE,% Bruni:2002:CAN,% Diaz:2003:CPP,% Huang:2009:CSP,% Kang:2009:CPM,% Langella:2002:CAT,% Li:2009:CTP,% Okamoto:2009:CTC,% Ozkan:2004:CSP,% Pierce:2000:CSM,% Sandberg:2009:CAH,% Schlund:2008:CAA,% Smellie:2003:CAI,% Soderhjelm:2009:CDC,% Tran:2001:CATa,% Tran:2001:CATb,% Whitnell:2008:CMV,% Wiberg:2004:CES,% Benzi:2002:QMS,% Budin:2001:SBL,% Bultinck:2002:GPD,% Carlsson:2003:IPE,% Chandrasekhar:2001:EEC,% Christen:2008:SSD,% Cioslowski:2001:FPC,% Corcho:2004:CAC,% Cortes:2004:GAC,% Csontos:2008:EEC,% Daeyaert:2007:AAC,% Distasio:2007:IAA,% Echenique:2006:QMC,% Faraldo-Gomez:2007:CCE,% Formaneck:2006:UGB,% Freeman:2003:CSC,% Gautier:2003:CAS,% Gil:2009:IIC,% Helal:2002:ICS,% Improta:2004:ARD,% Izrailev:2006:DGH,% Jang:2006:MPC,% Jaqaman:2002:NSW,% Kahn:2002:POA,% Kahn:2008:IEF,% Kamiya:2001:RAS,% Klein:2002:ICS,% Kolossvary:2001:HFL,% Kruger:2008:ECS,% LaValle:2000:RKB,% Lee:2004:CSC,% Lee:2005:EMD,% Lee:2008:RES,% Mackerell:2004:ETB,% Mak:2008:RCS,% Miyata:2008:CMD,% Mobli:2005:QVC,% Morales:2000:PTS,% Nakamura:2002:NMP,% ODonohue:2000:PNT,% Oakley:2005:LMP,% Porta:2007:CMM,% Porta:2008:CMM,% Scheraga:2002:EPB,% Schnupf:2008:DCS,% Schreiber:2005:EEL,% Seeliger:2009:TGV,% Suvire:2006:DFC,% Wang:2000:HWD,% Yu:2009:ECS,% Zhu:2007:SOS,% Chang:2003:TCA,% Hudaky:2001:PMX,% Jakli:2000:PMX% }. \NAMECITE{Conformations}{% Nguyen:2005:CEI,% Cao:2009:RDP,% Chen:2005:ATA,% Chiu:2008:SEF,% DelRio:2003:RMR,% Eyal:2004:ISA,% Fischer:2007:IBC,% Gould:2007:CIQ,% Guvench:2004:EAA,% Hori:2002:SCC,% Hudaky:2005:TDD,% Lei:2004:SPC,% Momany:2000:CSC,% Olson:2008:PPL,% Ono:2002:CFF,% Perczel:2000:TDD,% Perczel:2003:TDD,% Raos:2000:IMF,% Remmert:2009:EAC,% Tappura:2000:NSC% }. \NAMECITE{conformers}{% Headley:2000:TAF,% Hudaky:2004:SMI,% Kasalova:2007:MST,% Pacios:2001:III,% Rahal-Sekkal:2003:SED,% Tsipis:2002:MAD,% Wang:2004:SEA,% Yu:2009:ECS% }. \NAMECITE{{Congo}}{% Skowronek:2000:WDC% }. \NAMECITE{conical}{% Izzo:2000:OCI% }. \NAMECITE{conjecture}{% Pogliani:2003:CGC% }. \NAMECITE{conjugated}{% Baker:2000:HIS,% Cao:2005:CAS,% Dkhissi:2009:CHM,% Li:2008:LAC,% Liegeois:2009:VRO,% Liu:2007:SEO,% Wu:2000:VBC% }. \NAMECITE{connectivity}{% Estrada:2004:QCD,% Pogliani:2006:HPM% }. \NAMECITE{conquer}{% Akama:2007:IDC,% Molina:2003:IED,% vanderVaart:2000:LSM% }. \NAMECITE{consensus}{% Gianese:2006:CPI,% Jayaram:2002:FEC,% Li:2008:QSM,% Rurainski:2009:CLS% }. \NAMECITE{{Consequences}}{% Rupp:2009:DPH% }. \NAMECITE{considerations}{% Girones:2001:TMS,% Price:2005:DCB% }. \NAMECITE{Consistent}{% Ren:2002:CTI,% Buenker:2002:UEM,% Elstner:2003:MZB,% Kahn:2008:IEF,% Kuttel:2002:CSS,% Nakano:2002:QDP,% Stoll:2002:REC,% Voltz:2008:CGF,% Witek:2004:SSV,% Xie:2002:TSG% }. \NAMECITE{Constant}{% Mongan:2004:CPM,% Darrigan:2003:IFF,% Schuurmann:2000:PHL,% Vasilyev:2002:DED,% Wang:2005:TSR,% Wang:2007:TSR% }. \NAMECITE{constants}{% Chuang:2007:CRC,% Falzon:2006:PSC,% Gonzalez:2007:AERa,% Gonzalez:2007:AERb,% Hada:2001:QSN,% Ju:2009:GDT,% Klein:2003:HBD,% Makowska:2005:TCH,% Masgrau:2003:DRC,% Munoz:2004:PEB,% Perez-Jimenez:2007:MMW,% Ruiz:2003:ACE,% Sheng:2004:TSR,% Smedarchina:2001:DPC,% Tielens:2000:QCC,% Wu:2002:DID,% Wu:2007:SSC,% Zhang:2008:SIG% }. \NAMECITE{constrained}{% Chae:2001:FMS,% Echenique:2006:EFE,% LaValle:2000:RKB,% Mayer:2000:CDC% }. \NAMECITE{Constraining}{% Addicoat:2009:KCS,% Hong:2000:CED% }. \NAMECITE{constraint}{% Bailey:2009:MSE,% Forester:1998:SRR,% Forester:2000:ESR,% Krautler:2001:FSA,% Yang:2007:FEP% }. \NAMECITE{constraints}{% Bekker:2004:MON,% Budzelaar:2007:GOU,% Bushenkov:2000:AIE,% Bushenkov:2001:AIE,% Echenique:2006:QMC,% 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Horng:2003:CMC% }. \NAMECITE{Correspondence}{% Rico:2001:CBG% }. \NAMECITE{{corrphycene}}{% Nakashima:2006:BFP% }. \NAMECITE{{COSMO}}{% Eckert:2006:APB,% Eckert:2009:PAA,% Klamt:2002:PAS% }. \NAMECITE{{COSMO-RS}}{% Eckert:2006:APB,% Eckert:2009:PAA,% Klamt:2002:PAS% }. \NAMECITE{{COSMOS90}}{% Saito:2007:NMD% }. \NAMECITE{costs}{% Shepard:2002:RCE% }. \NAMECITE{Coulomb}{% Wang:2004:ECL,% Baker:2007:PDG,% Neese:2003:IRI,% Wang:2003:CLD% }. \NAMECITE{counterions}{% Jin:2009:SBS% }. \NAMECITE{counterpoise}{% Galano:2006:NAC% }. \NAMECITE{counting}{% Hatano:2005:CMO,% Lorenzo:2003:BCB% }. \NAMECITE{Coupled}{% Bhat:2006:CAC,% Murga:2001:NAC,% Chen:2009:EMI,% Dudley:2006:PCP,% Imamura:2008:EDA,% Klopper:2001:EIB,% Li:2002:LSL,% Li:2008:LAC,% Piacenza:2008:TEE,% Swart:2007:ELN,% Watanabe:2001:CXR,% Wheatley:2008:TDC,% Xiao:2009:GCC,% Sanchez:2000:SEM% }. \NAMECITE{coupled-cluster}{% Imamura:2008:EDA,% Klopper:2001:EIB,% Wheatley:2008:TDC% }. \NAMECITE{coupling}{% Chiodo:2008:DSO,% 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Leong:2009:PHC,% Oda:2005:NAF,% Ohtsuka:2001:ETT,% Zheng:2007:CSS,% Blomberg:2006:QCA% }. \NAMECITE{cytosine}{% Kumar:2004:TSS,% Matsubara:2008:IEE,% Meyer:2005:ISP,% Mirzaei:2008:CNS,% Santoro:2008:CTD,% Schreiber:2007:SBA,% Sherer:2001:QCC% }. \NAMECITE{cytosine-}{% Meyer:2005:ISP% }. \NAMECITE{cytosine-5-acetic}{% Mirzaei:2008:CNS% }. \NAMECITE{{C{}Z}}{% Castillo:2008:BLE% }. \NAMECITE{D}{% Ishida:2003:LIS,% Pristovsek:2006:SAP,% Schreiber:2005:EEL,% Antony:2002:BDC,% Bultinck:2002:GPD,% Chun:2000:MDM,% Dkhissi:2009:CHM,% Du:2005:HML,% Ferrero:2008:CSP,% Gonzalez-Diaz:2007:CCC,% Gonzalez-diaz:2007:CCA,% Gonzalez-diaz:2007:RCN,% Hudaky:2005:TDD,% Liao:2004:NGR,% Liao:2006:CPB,% Liu:2006:RPS,% Malcolm:2003:IAL,% Okamoto:2009:CTC,% Rahal-Sekkal:2003:SED,% Roux:2007:BPD,% Soler:2004:FTA,% Yao:2005:CGR,% Yao:2008:ASD,% Zhou:2009:DNI,% vanDroogenbroeck:2004:SMI,% Tejero:2007:PDS% }. \NAMECITE{{D}-}{% Antony:2002:BDC% }. \NAMECITE{{D}-arabinonate}{% Roux:2007:BPD% }. \NAMECITE{{D}-arabinonohydroxamate}{% Roux:2007:BPD% }. \NAMECITE{D-Epitope-Explorer}{% Schreiber:2005:EEL% }. \NAMECITE{{D}-erythronic}{% vanDroogenbroeck:2004:SMI% }. \NAMECITE{{D}-galactose}{% Rahal-Sekkal:2003:SED% }. \NAMECITE{{D-QSAR}}{% Du:2005:HML% }. \NAMECITE{{D-RNA}-coupling}{% Gonzalez-diaz:2007:RCN% }. \NAMECITE{D/}{% Pristovsek:2006:SAP% }. \NAMECITE{{D180}}{% Nakamura:2009:RKD% }. \NAMECITE{{{d2\_cluster}}}{% Carpenter:2002:APA% }. \NAMECITE{damage}{% Fujimoto:2005:MDS% }. \NAMECITE{dangers}{% Martin:2009:CMG% }. \NAMECITE{data}{% Alexeev:2007:PDD,% Barthe:2002:HMP,% Biegler-Konig:2000:CAI,% Cheng:2002:CPC,% Cuadrado:2007:QMB,% Fedorov:2004:NHP,% Foloppe:2000:AAE,% Habershon:2003:DMP,% Higo:2001:CMM,% Kalat:2002:QPG,% Kent:2007:EAF,% Latek:2007:PSP,% Mitin:2003:PSI,% Moad:2007:NVD,% Perczel:2003:PMX,% Pristovsek:2006:SAP,% Rassokhin:2001:NMM,% Rubensson:2007:HSM,% Rubensson:2009:TSM,% Ryde:2002:QCG,% Shyu:2009:RBU,% Soler:2004:FTA,% Widjaja:2002:PCS% }. 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Wang:2002:AEG,% Wang:2009:RMP,% Witek:2004:SSV,% Wu:2005:TSN,% Wu:2007:SSC,% Wysokinski:2001:PDD,% Xia:2008:BSZ,% Xie:2002:TSG,% Xue:2009:SOS,% Yanagisawa:2001:IUD,% Yang:2009:SMN,% Yim:2008:AMA,% Yu:2007:PRI,% Yu:2009:CSR,% Zhang:2004:DLI,% Zhao:2008:TDD,% Zhou:2006:RCP,% Zyubin:2003:PTD,% vanGisbergen:2000:TEE,% Hafner:2008:ISM,% Lee:2008:AES,% Momany:2000:CSC,% Xi:2006:DGQ,% Goh:2001:AFA% }. \NAMECITE{density-functional}{% Heringer:2007:AES,% Heringer:2012:EAE,% Liao:2003:PAD,% Liao:2006:APD,% Tokura:2008:DLS,% Xia:2008:BSZ,% Hafner:2008:ISM% }. \NAMECITE{density/polarization}{% Yang:2009:SMN% }. \NAMECITE{deoxyguanosine}{% Mishra:2002:ITS% }. \NAMECITE{deoxyribonucleoside}{% Pereira:2004:TSR% }. \NAMECITE{deoxyribose}{% Liang:2008:PDD,% So:2007:VEE% }. \NAMECITE{Dependence}{% Autschbach:2002:DRE,% Masgrau:2003:DRC,% Bondesson:2008:BSD,% Bondesson:2012:EBS,% Bu:2000:ODD,% Krautler:2006:MTS,% Nakai:2006:EDA,% Soderhjelm:2009:CDC,% Takahashi:2003:TSM,% Volkov:2009:BSD,% Zagrovic:2003:SVD,% Zhang:2008:SIG,% Damm:2000:RPF,% Devereux:2009:TIF,% Ma:2006:LBK% }. \NAMECITE{dependencies}{% Fukawa:2001:REH% }. \NAMECITE{dependency}{% Ono:2002:CFF% }. \NAMECITE{dependent}{% Bachler:2009:TDD,% Chiba:2008:PCM,% Falzon:2006:PSC,% Fiaty:2004:ADA,% Gogtas:2008:TDQ,% Gresh:2004:CDI,% Heringer:2007:AES,% Heringer:2012:EAE,% Hofinger:2001:DRP,% Imamura:2007:DCE,% Liao:2008:TSP,% Liu:2009:TDD,% Loeffler:2001:CSD,% Mallik:2002:DED,% Mazur:2009:ADT,% Morita:2008:PCSb,% Nakata:2009:MRS,% Ono:2000:PFE,% Piacenza:2008:TEE,% Tokura:2008:DLS,% Tsuchimochi:2008:ASS,% Wheatley:2008:TDC,% Wu:2008:QMS,% Yoshizawa:2007:CFD,% Zhao:2008:TDD,% Zyubin:2003:PTD,% vanGisbergen:2000:TEE,% Prabhakar:2005:CSV% }. \NAMECITE{depiction}{% Zhou:2009:DNI% }. \NAMECITE{deposit}{% Jug:2003:BEM% }. \NAMECITE{deposition}{% Umanskii:2001:TKI% }. \NAMECITE{deprotonated}{% Masamura:2004:EBS% }. \NAMECITE{Derivation}{% Ewig:2001:DCI,% Jung:2004:CMF,% Tokmachev:2005:TPS,% Tran:2001:CATa,% Ewig:2001:DCI,% Huang:2006:IKBa,% Torii:2002:ICM,% Totrov:2004:AEG% }. \NAMECITE{derivative}{% Choe:2007:TSE% }. \NAMECITE{derivatives}{% Benassi:2000:CBS,% Borosky:2003:TSC,% Brown:2006:SDG,% Calaminici:2002:MLF,% Crespo-Otero:2004:TMI,% Du:2005:HML,% Dudley:2006:PCP,% Flocke:2008:EEI,% Golebiowski:2002:RSC,% Ishida:2003:LIS,% Piacenza:2008:TEE,% Polo:2005:JSB,% Quinet:2001:ATS,% Quinet:2002:ATS,% Remmert:2009:EAC,% Sapre:2008:CMT,% Sapre:2009:GCO,% Schuurmann:2000:PHL,% Sun:2008:SSH,% Tuzun:2000:CIC% }. \NAMECITE{derived}{% Grimwood:2003:WFD,% Higo:2001:CMM,% Ishida:2002:ACE,% Kaminsky:2009:MDR,% Kang:2006:KBD,% Katagiri:2008:IPS,% Molina:2003:IED,% Swart:2001:CAD,% Tan:2009:AER,% Whitten:2006:EFD% }. \NAMECITE{Deriving}{% Reith:2003:DEM% }. \NAMECITE{desaturation}{% Borowski:2006:EDC% }. \NAMECITE{descreening}{% Michel:2004:PVG% }. \NAMECITE{describe}{% Dkhissi:2009:CHM,% Iori:2009:GAF,% McNamara:2006:CSP,% Rivero:2009:PPW,% Santoro:2008:CTD% }. \NAMECITE{describing}{% Casadesus:2004:TES,% Holt:2008:EIQ,% Holt:2008:IQM% }. \NAMECITE{Description}{% Imamura:2007:DCE,% Mohle:2001:DPP,% Bernal-Uruchurtu:2000:IDH,% Borini:2005:CFC,% Cao:2009:RDP,% Cramariuc:2009:IDP,% Grimme:2004:ADV,% Hayes:2004:FFD,% Samolyuk:2008:RBC,% Vetere:2003:CSQ% }. \NAMECITE{descriptions}{% Swart:2008:QQR% }. \NAMECITE{descriptor}{% Carbo-Dorca:2009:NQSb,% Rupp:2009:DPH,% Turner:2003:SDP,% Xi:2006:DGQ,% Zhou:2007:NSE% }. \NAMECITE{descriptors}{% Alvarez-Ginarte:2008:APR,% Buttingsrud:2007:VCP,% Delgado:2001:PID,% Estrada:2004:QCD,% Hemmateenejad:2008:AQT,% Hemmateenejad:2009:AMA,% Jacobsen:2009:CBV,% Li:2009:NMP,% Mandado:2007:QCD,% Roy:2006:ATC,% Tielens:2009:ERF,% Toropov:2009:QME,% Wouters:2000:UTD% }. \NAMECITE{Design}{% Ahmad:2003:DTN,% Koehler:2000:DSL,% Beke:2006:TRD,% Budin:2001:SBL,% Busch:2008:CPD,% Chowdry:2007:OOL,% Cruz-Monteagudo:2008:DBM,% Djurdjevic:2006:IPF,% Du:2007:PRD,% Du:2009:FBQ,% Gordon:2003:ERO,% Hamacher:2007:ITM,% Hom:2006:SAF,% Hong:2009:ROP,% 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Chiodo:2008:DSO,% Dallos:2002:DEM,% Fuster:2000:DSS,% Vasilyev:2002:DED,% Barbe:2008:IDF,% Bathe:2003:IMC,% Berente:2007:CEE,% Bofill:2000:AED,% Cai:2009:NIL,% Chipot:2003:RDC,% Contreras:2008:UTS,% Ferre:2002:SFF,% Garcia-Cruz:2000:DMM,% Hudaky:2005:TDD,% Maroulis:2003:IDE,% Melendez:2000:IDI,% Milani:2007:GAD,% Perczel:2000:TDD,% Perczel:2003:TDD,% Petrella:2003:IMN,% Rathinavelan:2007:ETF,% Russo:2000:TDE,% Sousa:2009:CAP,% Tan:2009:AER,% vanDroogenbroeck:2004:SMI% }. \NAMECITE{determinations}{% Yu:2009:ECS% }. \NAMECITE{determine}{% Donckels:2009:KBM,% Kloppmann:2007:EDE,% Ozawa:2008:CHB,% Rathinavelan:2008:NSD,% Yoshida:2006:NMD% }. \NAMECITE{determined}{% Oda:2005:NAF,% Tye:2006:CBC% }. \NAMECITE{determining}{% Bao:2006:TSR,% Dennis:2002:SSO,% Li:2006:RCV,% Partay:2008:NMD% }. \NAMECITE{Deterministic}{% Lin:2005:DGO% }. \NAMECITE{detonation}{% Ju:2005:SEH% }. \NAMECITE{detoxification}{% Zhang:2009:MDS% }. \NAMECITE{developed}{% Chiodo:2005:NDB,% Kalat:2002:QPG,% Rosso:2008:SDP% }. \NAMECITE{Development}{% Amisaki:2003:DHA,% Bredow:2001:DCC,% Habershon:2003:DMP,% Inaba:2007:DPD,% Kaminski:2002:DPF,% Komaromi:2008:DGR,% Kosinsky:2004:DFF,% Liivat:2005:DFF,% Lovallo:2003:DNP,% McQuaid:2004:DVC,% Meagher:2003:DPP,% Wang:2004:DTG,% Wang:2005:EJW,% Wennmohs:2005:DMM,% Xi:2006:DGQ,% Yang:2004:DEG,% Bandyopadhyay:2008:SOA,% Chae:2001:FMS,% Cruz-Monteagudo:2007:CCD,% Kirschner:2003:MMF,% Netzloff:2004:FFD,% Babu:2003:IQO,% Iwaoka:2009:SFF,% Shi:2008:IME% }. \NAMECITE{developments}{% Frediani:2004:NDS,% Hiberty:2007:SRD,% Stoll:2002:REC% }. \NAMECITE{DFT}{% Bondesson:2012:EBS,% Alves-Santos:2006:ASD,% Atanasov:2006:DMC,% Baker:2007:PDG,% Barone:2001:NJC,% Begue:2007:VAC,% Bento:2005:IDB,% Bessac:2008:DMR,% Binning:2008:HSV,% Bohm:2007:IER,% Bondesson:2008:BSD,% Borowski:2006:EDC,% Burda:2005:HPA,% Camiletti:2008:GBS,% Chen:2009:IDR,% Chidthong:2007:ESP,% Chien:2006:SSS,% Cloud:2003:SED,% Cuny:2008:DCQ,% DeJong:2005:OAE,% Derosa:2009:CSD,% Dkhissi:2009:CHM,% El-Sherbiny:2004:ERP,% Endo:2001:AXX,% Evarestov:2008:FPD,% Frison:2008:CSS,% Fukaya:2004:DGC,% Futera:2009:IPS,% Garcia-Cruz:2000:DMM,% Gotz:2005:OAB,% Gourlaouen:2006:RGM,% Gresh:2004:IIE,% Han:2006:DCM,% Harman:2005:CDD,% Hong:2000:CED,% Hou:2007:DSD,% Huang:2009:DCE,% Huang:2009:ESO,% Jakli:2000:PMX,% Klein:2002:ICS,% Klein:2003:HBD,% Kleinschmidt:2002:SOC,% Kristyan:2009:IPT,% Kuta:2006:PDM,% Larin:2007:QSE,% Lee:2004:IDS,% Lee:2007:DIC,% Li:2007:SEP,% Lie:2008:DSS,% Lin:2009:NHD,% Lundberg:2005:ABE,% Marechal:2006:DSR,% Maul:2007:DSU,% Milet:2006:RNS,% Mitin:2003:PSI,% Perczel:2003:PMX,% Piquemal:2005:CSD,% Prabhakar:2006:DSM,% Rousseau:2000:AEC,% Santoro:2008:CTD,% Schnupf:2008:DCS,% Seda:2005:SES,% Sinnecker:2006:QMC,% Soto-Castro:2004:MVD,% Suvire:2006:DFC,% Swart:2006:PAM,% Tielens:2009:ERF,% Valdes:2002:IDS,% VanDamme:2009:CDP,% Walker:2007:CBS,% Wang:2005:RBA,% Wang:2008:DSC,% Wang:2009:NBT,% Xiao:2002:DID,% Xue:2005:DSM,% Ye:2000:DAC,% Yim:2008:AMA,% Zamora:2008:RIC,% Zhao:2007:CDQ,% Zheng:2002:SSE,% Zheng:2009:DSC% }. \NAMECITE{{DFT-D}}{% Dkhissi:2009:CHM% }. \NAMECITE{{DFT/MRCI}}{% Kleinschmidt:2002:SOC% }. \NAMECITE{DFTB}{% Elstner:2003:MZB% }. \NAMECITE{di-}{% Chandra:2001:ROR,% Gould:2007:CIQ% }. \NAMECITE{di-arsenic}{% Kasalova:2005:SEA% }. \NAMECITE{diabetes}{% Patra:2009:ANN% }. \NAMECITE{Diagonalization}{% Leininger:2001:SSS,% Bofill:2000:AED,% Piris:2009:IDO% }. \NAMECITE{diagram}{% Hirao:2008:RBO% }. \NAMECITE{diamide}{% Hudaky:2004:SMI% }. \NAMECITE{diaminoguanidine}{% Bharatam:2006:TSE% }. \NAMECITE{diaminosilylenes}{% Takahashi:2001:TPV% }. \NAMECITE{diammineplatinum}{% Dobrogorskaia-Mereau:2005:QCM% }. \NAMECITE{diamond}{% Endo:2001:AXX,% Janetzko:2008:BDD,% Zyubin:2009:QCM% }. \NAMECITE{dianionic}{% Oliva:2006:CSL% }. \NAMECITE{diatomic}{% Artemyev:2004:FBS,% Falzon:2006:PSC,% Tielens:2000:QCC,% Wu:2007:ESC% }. \NAMECITE{diatomics}{% Cullen:2008:ADM% }. \NAMECITE{Diatropicity}{% Cuesta:2006:DT% }. \NAMECITE{diazonium}{% Ekanayake:2006:ABD,% Ekanayake:2007:MTS% }. \NAMECITE{diborane}{% Qu:2002:TSM% }. \NAMECITE{dibromomethane}{% Liu:2008:SOI% }. \NAMECITE{dicarboxylic}{% Nguyen:2005:CEI% }. \NAMECITE{dication}{% Bachler:2009:TDD% }. \NAMECITE{dichlorides}{% Linnolahti:2001:GPB% }. \NAMECITE{dichloromethane}{% Rodriguez-Ropero:2008:MDC% }. \NAMECITE{dichroic}{% Mayer:2000:CDC% }. \NAMECITE{dichroism}{% Andrushchenko:2008:CDE,% Honda:2008:ECD% }. \NAMECITE{didehydropyridine}{% Kraka:2001:PDP% }. \NAMECITE{didehydropyridinium}{% Kraka:2001:PDP% }. \NAMECITE{Dielectric}{% Hofinger:2001:DRP,% Darrigan:2003:IFF,% Goncalves:2003:FES,% Haberthur:2003:EEE,% Han:2006:DCM,% Li:2009:ICB,% Mallik:2002:DED,% Vasilyev:2002:DED,% Zhou:2008:HAB% }. \NAMECITE{{Diels}}{% Hirao:2008:RBO% }. \NAMECITE{{DIESEL}}{% Musch:2006:DMN% }. \NAMECITE{differ}{% Skowronek:2000:WDC% }. \NAMECITE{difference}{% Alemany:2008:RCE,% Bieniasz:2004:FOA,% Bieniasz:2004:IAS,% Boschitsch:2004:HBE,% Piquemal:2005:CSD,% Prabhu:2004:ITS,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc,% Vizcarra:2008:IPD% }. \NAMECITE{differences}{% Christ:2009:CTE,% Goette:2009:ACF,% Oostenbrink:2003:SSP,% Ytreberg:2004:EUN% }. \NAMECITE{different}{% Almlof:2004:BAP,% Blomgren:2005:EPE,% Cordomi:2007:EDT,% Cruz-Monteagudo:2007:CCD,% Derepas:2002:CWU,% Marabotti:2007:NCS,% Mark:2002:SDL,% Volkov:2004:CEI,% Wysokinski:2001:PDD% }. \NAMECITE{differential}{% Daga:2008:SPS% }. \NAMECITE{differently}{% Hegemann:2008:ASC% }. \NAMECITE{diffraction}{% Habershon:2003:DMP,% deGelder:2001:GES% }. \NAMECITE{Diffuse}{% Goodman:2007:DFN% }. \NAMECITE{Diffusion}{% Vasilkoski:2004:DCM,% Barone:2009:HMD,% Bieniasz:2004:FOA,% Chen:2009:IDR,% Rudolph:2005:AECa,% Vasilkoski:2000:GPF,% Patra:2004:SCF% }. \NAMECITE{difluoroethane}{% Chandra:2000:KHA% }. \NAMECITE{dihaloethanes}{% Wong:2008:TCM% }. \NAMECITE{dihedral}{% Frickenhaus:2009:EES,% Holt:2008:ICM,% Omori:2009:LRT,% Yang:2006:GAP% }. \NAMECITE{dihydro}{% Wu:2008:TSH% }. 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Grosdidier:2009:BDP% }. \NAMECITE{early}{% Cruz-Monteagudo:2008:CCA% }. \NAMECITE{earth}{% Jimenez-Halla:2009:TAT,% Jimenez-Halla:2011:ETA,% Saito:2007:NMD% }. \NAMECITE{earths}{% Li:2009:ICB% }. \NAMECITE{{ECEPP}}{% Seno:2006:ATS% }. \NAMECITE{economic}{% Fan:2007:CLS% }. \NAMECITE{edge}{% Xu:2009:NED% }. \NAMECITE{edge-doped}{% Xu:2009:NED% }. \NAMECITE{Edited}{% Stanton:2000:BRB% }. \NAMECITE{Editor}{% Jorgensen:2012:LEC,% Wu:2012:LER,% vanLenthe:2012:LEE,% Lipkowitz:2000:BRB% }. \NAMECITE{editor-in-chief}{% Lipkowitz:2000:BRB% }. \NAMECITE{Editorial}{% Brooks:2005:E% }. \NAMECITE{{Editors}}{% Brooks:2007:LE,% Frenking:2001:EP,% Frenking:2009:EN% }. \NAMECITE{educing}{% Betancourt:2001:FNH% }. \NAMECITE{Effect}{% Chen:2009:EMI,% Choe:2005:EAC,% Cordomi:2007:EDT,% Kadossov:2007:ESP,% Muegge:2001:ELV,% Wang:2004:ECL,% Binning:2008:HSV,% Carballeira:2000:IIG,% Carballeira:2001:RAE,% Cerqueira:2009:ESS,% Chval:2008:TES,% Csontos:2008:EEC,% Donnini:2005:IEI,% Gautier:2003:CAS,% 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Zheng:2002:SSE,% Chen:2009:CTS% }. \NAMECITE{efficacy}{% Kontoyianni:2005:ELR% }. \NAMECITE{Efficiency}{% Inada:2008:ENB,% Makowski:2006:EAE,% Rico:2004:EAC,% Yasar:2002:EMS,% Carlsson:2003:IPE,% Fajer:2009:UMF,% Galvan:2008:IEN,% Kahn:2008:IEF,% Li:2004:IEC,% Lloyd:2005:SIE,% Lu:2004:IER,% Pulay:2005:AEA,% Shi:2008:IME,% Shinoda:2003:RBD,% Stepanenko:2008:NTS,% vanLenthe:2012:LEE% }. \NAMECITE{Efficient}{% Ahlrichs:2002:ELA,% Baker:2000:EGO,% Banerjee:2005:ECA,% Chandrasekhar:2001:EEC,% Ding:2008:EBF,% Echenique:2008:EMC,% Flocke:2008:EEI,% Frickenhaus:2009:EES,% Ghulghazaryan:2007:ECW,% Guvench:2004:EAA,% Haberthur:2003:EEE,% Hnizdo:2008:ECC,% Kent:2007:EAF,% Kirtman:2000:ETE,% Nilsson:2009:ETL,% Oberhofer:2009:EEF,% Oostenbrink:2009:EFE,% Sayyed-Ahmad:2004:EST,% Shinoda:2008:EFE,% Toniolo:2001:ECF,% Wu:2012:LER,% Ytreberg:2004:EUN,% Amisaki:2000:PEE,% Bailey:2009:MSE,% Baker:2002:EPA,% Bofill:2000:AED,% Cervellino:2006:EEF,% Chen:2005:ATA,% Chen:2009:PRW,% Chen:2013:EPR,% Duret:2008:SEI,% Fattebert:2002:DFT,% Gao:2008:EFP,% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Kawata:2000:CEC,% Lee:2004:EHE,% Lee:2005:EMD,% Pitarch-Ruiz:2002:RCS,% Rodriguez:2009:EGB,% Salvador:2006:GEI,% Song:2009:EAE,% Tafipolsky:2005:CRP,% Totrov:2004:AEG,% Wang:2003:PEM,% Yu:2009:ECS,% vanLenthe:2012:LEE,% Forester:1998:SRR,% Forester:2000:ESR% }. \NAMECITE{efficiently}{% Isayev:2007:TCC,% Li:2006:RCV% }. \NAMECITE{eigenvalue}{% Shepard:2002:RCE% }. \NAMECITE{eight}{% Cho:2005:MDH% }. \NAMECITE{elastic}{% Alfonso:2003:FNE,% Ball:2002:ENA% }. \NAMECITE{Electric}{% Larin:2008:EFC,% Sabzyan:2007:EFE,% Whitten:2006:EFD,% Angyan:2003:OTO,% Benkova:2005:RSP,% Chen:2009:CTS,% Karafiloglou:2006:CDS,% Larin:2008:CEF,% Maroulis:2003:IDE,% Oakes:2005:RSP% }. \NAMECITE{electrical}{% Kirtman:2000:ETE% }. \NAMECITE{electride}{% Li:2006:RCS% }. \NAMECITE{electrochemical}{% Bieniasz:2004:FOA,% Bieniasz:2004:IAS,% Rudolph:2005:AECc% }. \NAMECITE{electrocyclization}{% Zhu:2007:CIS% }. \NAMECITE{electrolyte}{% Chen:2009:IDR,% Yan:2009:EED,% Zarzycki:2004:SPA% }. \NAMECITE{Electron}{% Ayala:2000:ECL,% Baranov:2008:ELH,% Bezugly:2008:ELI,% Blomgren:2001:ETB,% Chamorro:2003:EPD,% Fradera:2002:ELD,% Li:2001:ETB,% Ohtsuka:2001:ETT,% Ponec:2005:EPC,% Ponec:2007:EPC,% Tew:2007:ECM,% Tokmachev:2006:EGF,% Zeng:2007:EAH,% Alkorta:2003:CED,% Anikin:2003:LBO,% Babu:2003:IQO,% Bachler:2007:ONA,% Baker:2000:HIS,% Bao:2006:TSR,% Becue:2004:EPS,% Bharatam:2006:TSE,% Bitter:2007:TPU,% Bu:2000:ODD,% Buttingsrud:2007:VCP,% Castillo:2008:BLE,% Chen:2009:EMI,% Chiodo:2009:OES,% Cramariuc:2009:IDP,% Csontos:2008:EEC,% DeProft:2002:ACD,% DeProft:2003:HPE,% Evarestov:2009:AEL,% Ferro:2007:MES,% Fossgaard:2006:SSM,% Fradera:2004:SOA,% Fu:2006:CMT,% Fuster:2000:DSS,% Ganesh:2008:WWI,% Gill:2000:RET,% Gillespie:2007:EGL,% Grimwood:2003:WFD,% Henn:2007:CIM,% Hirao:2008:RBO,% Hong:2000:CED,% Imamura:2008:CST,% Inaba:2005:AED,% Inaba:2007:DPD,% Ito:2001:RPE,% Jacobsen:2009:CBV,% Kasalova:2005:SEA,% Kim:2008:CNG,% Klein:2003:HBD,% Knippenberg:2006:GFS,% Kristyan:2009:IPT,% Kumar:2004:TSS,% Laikov:2007:NFA,% Larin:2007:QSE,% Lee:2009:SEE,% Leherte:2006:SMB,% Leherte:2008:CMR,% Li:2001:TSS,% Li:2002:MMG,% Li:2002:TIE,% Li:2005:DPT,% Liang:2008:PDD,% Ma:2006:MCI,% Malrieu:2007:EBE,% Mandado:2007:CGT,% Mitchell:2000:MSP,% Miura:2009:ITT,% Otsuka:2002:TAE,% Pendas:2005:TEI,% Polo:2005:JSB,% Polo:2007:NIB,% Qu:2003:DFI,% Ruedenberg:2007:EWD,% Ruedenberg:2007:WDE,% Russo:2000:TDE,% Soler:2004:FTA,% Volkov:2004:CEI,% Volkov:2009:BSD,% Wang:2001:HRE,% Wang:2009:PPT,% Wells:2000:CSE,% Xie:2008:EEA,% Yasuda:2008:TEI,% Yokojima:2003:DMF,% Yoshizawa:2009:REC,% Zhao:2004:ACT,% Ponec:2005:EPC% }. \NAMECITE{electron-correlation}{% Yoshizawa:2009:REC% }. \NAMECITE{electron-pair}{% Fradera:2004:SOA% }. \NAMECITE{electron-repulsion}{% Kristyan:2009:IPT% }. \NAMECITE{electron-sharing}{% Bitter:2007:TPU% }. \NAMECITE{electron-transfer}{% Qu:2003:DFI% }. \NAMECITE{electron/four}{% Garcia-Yoldi:2007:OTE% }. \NAMECITE{electronegativities}{% deSouza:2000:CPA% }. \NAMECITE{electronegativity}{% Alemany:2008:RCE,% Berente:2007:CEE,% Jirouskova:2009:SNU,% Varekova:2006:OPI% }. \NAMECITE{Electronic}{% Cheng:2007:ESC,% Das:2003:EEG,% Frenking:2007:ESC,% Gonzalez-Garcia:2005:ESS,% Huang:2009:ESO,% Ida:2002:ESS,% Khandogin:2000:ESP,% Khoroshun:2007:ERO,% Kurtulus:2006:ESC,% Lehnert:2006:ESI,% Li:2007:EPT,% Oncak:2008:ESP,% Qu:2005:ESS,% Rani:2007:ESB,% Stashans:2008:ESC,% Wu:2006:ESM,% Wu:2007:ESC,% Xie:2005:EEG,% Alfonso:2003:FNE,% Alkorta:2003:CED,% Amatatsu:2002:ISE,% Aschi:2004:CFE,% Aspuru-Guzik:2005:ZPQ,% Autschbach:2002:DRE,% Bachler:2009:TDD,% Belmares:2004:HHS,% Casadesus:2004:TES,% Chen:2007:SEO,% Choe:2005:EAC,% Choe:2007:TSE,% Conte:2007:DEF,% Cossi:2003:ESE,% Crawford:2007:POS,% Cui:2008:SSE,% Dehareng:2000:HFI,% Flocke:2008:EEI,% Gao:2008:EFP,% Gdanitz:2005:RAE,% Goncalves:2004:NAH,% Hemmateenejad:2009:AMA,% Huang:2009:DCE,% Huang:2009:FPC,% 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Wang:2009:SDE% }. \NAMECITE{Electrostatic}{% Curutchet:2003:ECS,% Garcia-Yoldi:2007:OTE,% Petrella:2005:EEF,% Politzer:2003:EPC,% Rico:2004:EPF,% Slipchenko:2007:EEE,% Altman:2009:ASM,% Berente:2007:CEE,% Concu:2009:CCS,% Crocker:2005:MAP,% Dardenne:2001:RFU,% Feig:2004:PCG,% Gregersen:2006:CSI,% Gresh:2005:RZI,% Grimwood:2003:WFD,% Kaminski:2003:CIM,% Kim:2004:PPP,% Kim:2008:PDS,% Mannfors:2001:PEM,% Patel:2004:CFCb,% Pilme:2008:ABC,% Robertson:2008:ELR,% Sanchez:2000:SEM,% Schwarzl:2005:NCS,% Vilar:2008:QMA,% Volkov:2004:CEI,% Wang:2000:HWD,% Yoshida:2006:NMD% }. \NAMECITE{electrostatics}{% Hofinger:2001:DRP,% Molina:2003:IED,% Rankin:2003:THP,% Schwarzl:2002:CCL,% VandeStreek:2002:IEC,% Whitten:2006:EFD,% Zhou:2008:HAB% }. \NAMECITE{electrotopological}{% Sapre:2008:CMT% }. \NAMECITE{element}{% Aragon:2004:PBE,% Baker:2000:AMF,% Baranov:2008:ELH,% Bordner:2003:BES,% Boschitsch:2004:HBE,% Holst:2000:AMF,% Holst:2001:EAM,% Li:2001:ETB,% Swart:2006:PAM% }. \NAMECITE{elements}{% 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DelCarmenMichelini:2005:ETA,% Jorgensen:2012:LEC,% Remmert:2009:EAC,% Bosch:2003:BPM,% Elstner:2003:MZB,% Jin:2009:SBS,% Kim:2008:PDS,% Pendas:2007:CFR,% Song:2009:ETS% }. \NAMECITE{Energetics}{% Kepenekian:2009:EFN,% Apgar:2009:CEM,% Duca:2007:IID,% Huang:2009:FPC,% Im:2009:NFE,% Launay:2005:TSS,% Mackerell:2004:ETB,% Masamura:2001:IMOb,% Maul:2007:DSU,% Sefcik:2002:DCE,% Wright:2009:SCC,% Zhu:2003:TSS,% Zhu:2009:SPH,% David:2000:CGB% }. \NAMECITE{Energies}{% Cossi:2003:ESE,% Baker:2002:EPA,% Bartels:2005:AFE,% Basilevsky:2006:CHF,% Bohm:2007:IER,% Bubel:2000:MMB,% Chidthong:2007:ESP,% Cieplak:2001:MMM,% Csontos:2008:CWP,% Cummins:2005:CMS,% Danecek:2007:CNS,% Ding:2008:EBF,% Feig:2004:PCG,% Ford:2007:AFC,% Fukuzawa:2005:IQM,% Gresh:2004:CDI,% Gresh:2004:IIE,% Harman:2005:CDD,% Helal:2002:ICS,% Holthausen:2005:BAD,% Inada:2008:ENB,% Jenkins:2000:BSC,% Jha:2005:FFV,% Jiao:2009:TLB,% Jug:2003:BEM,% Jung:2007:FES,% Jurecka:2007:DFT,% Kim:2001:DFT,% Kim:2002:EDF,% Klopper:2001:EIB,% Kristyan:2001:FAC,% Liu:2001:RGC,% Loeffler:2001:CSD,% Lopez:2006:CVE,% MacCallum:2003:CWC,% Masamura:2004:EBS,% Min:2008:CBS,% Nguyen:2005:CEI,% Petrella:2005:EEF,% Piacenza:2008:TEE,% Rahal-Sekkal:2003:SED,% Reddy:2007:IQM,% Rocchia:2002:RGB,% Rousseau:2000:AEC,% Schultz:2008:BAD,% Schwarzl:2002:CCL,% Sherer:2003:FAM,% So:2007:VEE,% Sunoj:2001:CID,% Takahashi:2001:TPV,% Udier-Blagovic:2004:AFE,% Varandas:2009:MPP,% Volkov:2004:CEI,% Wang:2000:HWD,% Wang:2005:RBA,% Wennmohs:2005:DMM,% Wiberg:2004:CES,% Xu:2007:MOA,% Zhang:2009:AFE,% Zhang:2009:EIM,% Zyubin:2003:PTD,% vanGisbergen:2000:TEE% }. \NAMECITE{Energy}{% Curutchet:2003:EDM,% Herzog:2006:EBP,% Imamura:2008:EDA,% Kazmierkiewicz:2002:EBR,% Marabotti:2008:EBP,% Nakai:2006:EDA,% Swart:2007:ELN,% Wu:2012:LER,% deSancho:2008:EMC,% Al-Matar:2004:GEM,% Alfonso:2003:FNE,% Almlof:2004:BAP,% Alonso:2006:PMM,% Anderson:2006:MSR,% Anglada:2001:EQR,% Anglada:2001:QRP,% Aspuru-Guzik:2005:SAE,% Beck:2007:HRA,% Benzi:2005:BCF,% Beran:2003:ICE,% Blomgren:2005:EPE,% Blondel:2004:EVF,% Bofill:2001:RCQ,% Bondesson:2008:BSD,% Bondesson:2012:EBS,% Borras-Almenar:2001:SNU,% Boschitsch:2007:NOB,% Butler:2009:TAR,% Cai:2009:NIL,% Carlsson:2003:IPE,% Chavez:2004:ICE,% Chen:2009:PRW,% Chen:2013:EPR,% Cheng:2009:SSC,% Chipot:2003:RDC,% Chiu:2008:SEF,% Christ:2009:CTE,% Cruz-Monteagudo:2007:CCD,% Curco:2004:PSM,% Curutchet:2006:DRC,% Dallos:2002:DEM,% Das:2009:FES,% Donnini:2005:IEI,% Duan:2001:ATC,% Ebel:2000:GEM,% Fajer:2009:UMF,% Fedorov:2007:PIE,% French:2001:HES,% Fu:2006:CMT,% Gallicchio:2002:SNH,% Galvan:2004:NML,% Geerke:2009:DCF,% Gillan:2008:HPC,% Goette:2009:ACF,% Gohlke:2004:CFE,% Goncalves:2002:NAF,% Goncalves:2003:FES,% Gourlaouen:2006:RGM,% Greene:2002:ICE,% Guvench:2002:AFA,% Han:2001:AMS,% Hassinen:2001:NET,% Hill:2008:GFE,% Huey:2007:SFE,% Ikeda:2003:HHI,% Im:2009:NFE,% Isayev:2007:TCC,% Ishimura:2006:NPA,% Ishimura:2007:NPA,% Jacobsen:2009:CBV,% Jayaram:2002:FEC,% Kahn:2007:CTO,% Kawamura:2004:HAC,% Khan:2005:SPM,% Kloppmann:2007:EDE,% Knight:2009:DFE,% Kobrak:2003:SSE,% Kristyan:2001:FAC,% Kristyan:2009:IPT,% Labute:2008:GBV,% Laederach:2003:SEF,% Le:2001:ISC,% Li:2004:CMTa,% Li:2004:CMTb,% Li:2004:IEC,% Liang:2008:PDD,% Lu:2004:IER,% Lu:2009:GEA,% Ma:2006:LBK,% Marun:2005:FCP,% Matamala:2007:SAI,% Mazur:2008:ISS,% Meinke:2009:FED,% Morales:2000:PTS,% Morreale:2003:CDC,% Mutyala:2007:CRB,% Nakamura:2002:MCS,% Nakamura:2002:NMP,% Nakamura:2006:TPA% }. \NAMECITE{energy}{% Oberhofer:2009:EEF,% Olson:2008:PPL,% Ono:2000:PFE,% Ono:2002:CFF,% Oostenbrink:2003:SSP,% Oostenbrink:2009:EFE,% Paizs:2001:IBL,% Pappalardo:2003:FEP,% Patra:2004:SCF,% Periole:2009:PFE,% Piquemal:2005:CSD,% Quapp:2001:CQR,% Rafat:2007:AAP,% Raos:2000:IMF,% Rapallo:2006:AUS,% Reddy:2007:IQM,% Rodriguez-Ropero:2008:ICS,% Rosta:2009:ARC,% Rurainski:2009:CLS,% Saito:2005:FEC,% Salvador:2001:EBI,% Sayano:2000:MMC,% Scheraga:2002:EPB,% Schlegel:2003:EPE,% Schlund:2008:CAA,% Seno:2006:ATS,% Seok:2003:MMO,% Shinoda:2008:EFE,% 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\NAMECITE{enhancements}{% Allen:2006:DPE% }. \NAMECITE{enkephalin}{% Zhan:2009:CPN% }. \NAMECITE{enones}{% Sunoj:2001:CID% }. \NAMECITE{enough}{% Villar:2005:ALP% }. \NAMECITE{Ensemble}{% Blondel:2004:EVF,% Basma:2001:SEA,% Eslami:2007:MDS,% Okumura:2006:MME,% Shi:2008:IME,% Shinoda:2003:RBD% }. \NAMECITE{ensembles}{% Georgiev:2008:MDE,% Ikeguchi:2004:PRB% }. \NAMECITE{ensure}{% Fisher:2008:OIA% }. \NAMECITE{enterovirus}{% Ke:2006:SVC% }. \NAMECITE{Enthalpies}{% Exner:2004:EFM,% Winget:2004:EFB,% Bohm:2006:CEF,% Lundberg:2005:ABE,% Rousseau:2000:AEC,% Toropov:2009:QME,% Villar:2005:ALP% }. \NAMECITE{enthalpy}{% Oostenbrink:2004:BFF% }. \NAMECITE{entire}{% Zheng:2007:CSS% }. \NAMECITE{entropic}{% Chang:2008:EEC,% Faraldo-Gomez:2007:CCE% }. \NAMECITE{entropy}{% Darian:2005:EAI,% Hnizdo:2007:NNN,% Hnizdo:2008:ECC,% Kim:2007:EEG,% Lorenzo:2003:BCB,% Ruvinsky:2005:NFS,% Ruvinsky:2007:RBE,% Schwarzl:2002:CCL,% Widjaja:2002:PCS% }. \NAMECITE{enumeration}{% Agrafiotis:2001:MSC% }. 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\NAMECITE{estimating}{% Hnizdo:2007:NNN% }. \NAMECITE{Estimation}{% Darian:2005:EAI,% Zhang:2009:EIM,% Christ:2009:CTE,% Donckels:2009:KBM,% Hong:2009:ROP,% Kristyan:2001:FAC,% Pinsky:2003:SAE,% Labute:2008:GBV% }. \NAMECITE{estimators}{% Gallicchio:2002:SNH% }. \NAMECITE{estrogen}{% Fukuzawa:2005:IQM,% Kirchhoff:2001:ASB% }. \NAMECITE{ethane}{% DeJong:2005:OAE% }. \NAMECITE{ethanes}{% Wang:2009:DLD% }. \NAMECITE{ethene}{% Angeli:2009:NIE% }. \NAMECITE{ether}{% Golebiowski:2002:RSC,% Wang:2004:SEA,% Wu:2003:DLD,% Yang:2008:TSR% }. \NAMECITE{ethers}{% Allinger:2003:AEC,% Lii:2003:AECa,% Lii:2003:AECb,% Lii:2003:AECc,% Zheng:2009:DSC% }. \NAMECITE{ethyl}{% Kim:2007:EEG% }. \NAMECITE{Ethylene}{% Talarico:2000:ECI,% Borodin:2001:IQC,% Hirao:2008:RBO,% Nakagawa:2000:TSC,% Smith:2002:RQC% }. \NAMECITE{{Euclidean}}{% Rubensson:2009:TSM% }. \NAMECITE{{EUDOC}}{% Pang:2001:ECP% }. \NAMECITE{{Euler}}{% Steiger:2001:LSC% }. \NAMECITE{evaluate}{% Gonzalez:2007:AERa,% Gonzalez:2007:AERb,% Li:2004:CMTa,% Okur:2003:UPC,% Torrent-Sucarrat:2007:QHK% }. \NAMECITE{evaluated}{% Anglada:2001:EQR,% Anglada:2001:QRP,% Bofill:2001:RCQ,% Quapp:2001:CQR% }. \NAMECITE{evaluating}{% Frison:2008:CSS,% Constans:2002:LSA% }. \NAMECITE{Evaluation}{% Becue:2004:EPS,% DeSancho:2007:ECG,% Kontoyianni:2005:ELR,% Nobeli:2001:EKB,% Oda:2009:ESA,% Valdes:2008:EIB,% Yan:2009:EED,% Anonymous:2005:EDS,% Aspuru-Guzik:2005:SAE,% Cervellino:2006:EEF,% Conte:2007:DEF,% Distasio:2007:IAA,% Duret:2008:SEI,% El-Sherbiny:2004:ERP,% Flores-Moreno:2006:HNE,% Frickenhaus:2009:EES,% Gill:2000:RET,% Haberthur:2003:EEE,% Jung:2007:FES,% Kenny:2008:CIE,% Krautler:2006:MTS,% Larin:2007:QSE,% Li:2008:LAC,% Matsuura:2006:AEA,% Morita:2002:WPC,% Putz:2004:AHP,% Shaw:2005:FSM,% Vasilyev:2002:FPE,% Wang:2002:AEG,% Yang:2004:DEG,% Yasuda:2008:TEI,% Chang:2008:EEC,% Gresh:2004:IIE,% Oakley:2005:LMP,% Zwier:2007:HMD% }. \NAMECITE{evaluations}{% Shen:2005:SMF% }. \NAMECITE{{Evans}}{% Skowronek:2000:WDC% }. \NAMECITE{{EVEBAT}}{% Curco:2003:EFS% }. \NAMECITE{Even}{% Chong:2004:ETS,% Capar:2007:OEE,% VandeStreek:2002:IEC% }. \NAMECITE{Even-tempered}{% Chong:2004:ETS% }. \NAMECITE{evidence}{% Bobrowski:2002:ISM,% Inada:2008:ENB,% Sousa:2007:TSF% }. \NAMECITE{Evolution}{% Scheraga:2002:EPB,% Derosa:2009:CSD,% Mckee:2007:MHE% }. \NAMECITE{Evolutionary}{% DeSancho:2005:EMA,% Cai:2002:FAE,% Chen:2008:PPS,% Chiu:2008:SEF,% Djurdjevic:2006:IPF,% Koskowski:2005:TPF,% Verma:2007:AAN,% Yang:2000:FLD,% Yang:2004:DEG% }. \NAMECITE{{Ewald}}{% Amisaki:2000:PEE,% Barash:2003:ISL,% Kawata:2000:CEC,% Kholmurodov:2000:SPM% }. \NAMECITE{Exact}{% Gomes:2002:EGE,% Gordon:2003:ERO,% DiBenedetto:2000:NPE,% Tsodikov:2002:NCP% }. \NAMECITE{examination}{% Curco:2003:EFS,% Lee:2008:RES,% Queyroy:2009:NEE,% Wang:2004:NEP,% Almlof:2004:BAP% }. \NAMECITE{example}{% Ayala:2000:ECL,% Junquera-Hernandez:2005:MAS,% Masgrau:2003:DRC% }. \NAMECITE{examples}{% Cuny:2008:DCQ,% Holst:2000:AMF,% Holst:2001:EAM,% 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Bohm:2009:ITF,% Grimwood:2003:WFD,% Lundberg:2005:ABE,% Matta:2003:AQT% }. \NAMECITE{experimental}{% Bohm:2006:CEF,% Jiang:2002:CPE,% Latek:2007:PSP% }. \NAMECITE{experimentally}{% Kuttel:2002:CSS,% Tye:2006:CBC% }. \NAMECITE{experiments}{% Chelli:2008:RSD,% Hudaky:2005:TDD,% Oberhofer:2009:EEF,% Perczel:2000:TDD,% Perczel:2003:TDD,% Shukla:2004:TIN% }. \NAMECITE{Explicit}{% Echenique:2006:EFE,% Prabhu:2008:EII,% Rathinavelan:2007:ETF,% Agrafiotis:2001:MSC,% Donnini:2005:IEI,% Formaneck:2006:UGB,% Henchman:2002:EHS,% Jiao:2009:TLB,% Komeiji:2007:CPE,% Komeiji:2009:FMO,% Lee:2004:EHE,% Petrella:2005:EEF,% Rodriguez:2009:EGB,% Wagoner:2004:EJW,% Wagoner:2004:SFB,% Wagoner:2005:ESF,% Zhang:2001:SMP% }. \NAMECITE{explicit/implicit}{% Lee:2004:EHE% }. \NAMECITE{exploiting}{% Jung:2007:FES% }. \NAMECITE{exploration}{% Chandrasekhar:2001:EEC,% Huang:2009:MDS,% Li:2009:NMP,% Luo:2009:AES% }. \NAMECITE{exploratory}{% Pettersen:2004:UCV% }. \NAMECITE{explore}{% Im:2009:NFE% }. \NAMECITE{Explorer}{% Schreiber:2005:EEL% }. \NAMECITE{Exploring}{% Blomgren:2005:EPE,% Hart:2000:ESB,% He:2009:EPS,% Kruger:2008:ECS,% Schlegel:2003:EPE,% Tielens:2009:ERF,% Scheraga:2002:EPB% }. \NAMECITE{exponent}{% Watanabe:2006:RGB% }. \NAMECITE{exponential}{% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc% }. \NAMECITE{exponentially}{% Bieniasz:2004:FOA% }. \NAMECITE{exponents}{% Morita:2008:PCSa% }. \NAMECITE{exposure}{% Mallik:2002:DED% }. \NAMECITE{expression}{% deGelder:2001:GES% }. \NAMECITE{expressions}{% Tuzun:2000:CIC% }. \NAMECITE{Extended}{% Loksha:2009:SSH,% Tautermann:2003:EMA,% Bieniasz:2004:IAS,% Cullen:2004:PHF,% Dai:2008:ESO,% Kloppmann:2007:EDE,% Queyroy:2009:NEE,% Sauer:2000:CQM,% Stanger:2001:SIB% }. \NAMECITE{Extending}{% Girones:2004:TFE,% Mackerell:2004:ETB% }. \NAMECITE{extensible}{% Shi:2003:ESF,% Gdanitz:2005:RAE% }. \NAMECITE{Extension}{% Cho:2009:EQM,% Forti:2008:EMC,% Giese:2008:EAT,% Tubert-Brohman:2004:EPP% }. \NAMECITE{Extensive}{% Jorgensen:2012:LEC,% Liu:2008:ETS,% Song:2009:ETS,% Yu:2009:ECS,% Zou:2005:ETS,% Song:2009:MIP% }. \NAMECITE{external}{% Chen:2009:CTS,% Echenique:2006:EFE% }. \NAMECITE{extra}{% Landis:2007:VEV% }. \NAMECITE{extra-valence}{% Landis:2007:VEV% }. \NAMECITE{Extracting}{% Henchman:2002:EHS% }. \NAMECITE{extraction}{% Oberhofer:2009:EEF% }. \NAMECITE{extrapolated}{% Klopper:2001:EIB,% Varandas:2009:MPP% }. \NAMECITE{extrapolation}{% Miao:2009:MDO,% Moon:2006:CQC,% Paizs:2001:IBL,% Perczel:2003:PMX% }. \NAMECITE{extremal}{% Zhang:2008:REE% }. \NAMECITE{extremely}{% Genoni:2005:OVO% }. \NAMECITE{{Eyring}}{% Nye:2007:EWT% }. \NAMECITE{F}{% Castillo:2008:BLE,% Fukaya:2004:DGC,% Gogtas:2008:TDQ,% Helal:2002:ICS,% Huang:2009:DCE,% Huang:2009:ESO,% Infante:2004:QMS,% Kasalova:2005:SEA,% Kisowska:2008:SCB,% Maroulis:2003:IDE,% Rankin:2001:DFT,% Sun:2008:SSH,% Urata:2004:AII,% Wang:2004:DID,% Wang:2007:IDD,% Xiao:2002:DID,% Zhang:2001:CRE,% Zhang:2006:TSM,% Zou:2009:CIC,% Hou:2007:DSD,% Kasalova:2005:SEA,% Rocha:2006:RRA,% Saito:2005:FEC,% Shalabi:2002:FAF,% Wang:2006:GRM,% Yang:2003:NTI% }. \NAMECITE{facility}{% Song:2004:PVB% }. \NAMECITE{factor}{% Lee:2009:CIF,% Wells:2000:CSE,% Xiao:2006:UPA% }. \NAMECITE{factorization}{% Echenique:2006:EFE% }. \NAMECITE{factors}{% Altun:2006:SQM,% Strassner:2002:MPF,% Toniolo:2001:ECF% }. \NAMECITE{{FACTS}}{% Haberthur:2008:FFA% }. \NAMECITE{family}{% Carvalho:2009:RVA,% Du:2005:HML,% Nifosi:2007:VSS,% Watanabe:2006:RGB% }. \NAMECITE{{FapydG}}{% Song:2008:MMP% }. \NAMECITE{farnesyl}{% Sousa:2007:TSF% }. \NAMECITE{Fast}{% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Jung:2007:FES,% Netzloff:2004:FFD,% Rotkiewicz:2008:FPR,% Sherer:2003:FAM,% Soler:2004:FTA,% Amisaki:2000:PEE,% Amisaki:2003:DHA,% Anonymous:2005:EDS,% Cai:2002:FAE,% Choi:2001:NPO,% Crocker:2005:MAP,% Curco:2003:EFS,% Giese:2008:EAT,% Gront:2007:BBQ,% Heinz:2004:FPC,% Huang:2005:AFF,% Ishida:2004:AFA,% Kawata:2000:CEC,% Korchowiec:2009:ECT,% Krautler:2001:FSA,% Krautler:2006:MTS,% Prabhu:2004:ITS,% Ruvinsky:2005:NFS,% Sandak:2001:MFS,% Shao:2004:DLS,% Shaw:2005:FSM,% Tsodikov:2002:NCP,% Vasilyev:2002:FPE,% Walker:2008:IFA,% Haberthur:2008:FFA,% Li:2005:SFS,% VanDerSpoel:2005:GFF% }. \NAMECITE{faster}{% Shen:2005:SMF,% Allen:2006:DPE% }. \NAMECITE{faujasite}{% Tielens:2000:QCC% }. \NAMECITE{faujasite-type}{% Tielens:2000:QCC% }. \NAMECITE{FB}{% Du:2009:FBQ% }. \NAMECITE{FB-QSAR}{% Du:2009:FBQ% }. \NAMECITE{{FBP28WW}}{% Periole:2009:PFE% }. \NAMECITE{{FDS}}{% Taylor:2003:FFL% }. \NAMECITE{Fe}{% Barman:2009:IMM,% Han:2006:DCM,% Herrmann:2006:SSP,% Kepenekian:2009:EFN,% Alagona:2003:IMS,% Karipidis:2008:DEN,% Deeth:2004:PND,% Mckee:2007:MHE,% Mckee:2007:MNF,% Nakashima:2006:BFP,% Nakashima:2006:RBF,% Ponec:2008:SBB% }. \NAMECITE{feasibility}{% Meller:2002:MFG% }. \NAMECITE{feed}{% Shen:2004:HPS% }. \NAMECITE{feed-forward}{% Shen:2004:HPS% }. \NAMECITE{feedforward}{% Lin:2007:SVM% }. \NAMECITE{Felix}{% Anonymous:2006:EFS,% Anonymous:2006:EFS% }. \NAMECITE{{FeMo}}{% Mckee:2007:MHE,% Mckee:2007:MNF% }. \NAMECITE{{Fermi}}{% Kristyan:2009:IPT,% Ponec:2003:CSA,% Ponec:2005:CSA,% Ponec:2007:EPC,% Ponec:2008:SBB% }. \NAMECITE{ferrocene}{% Kang:2007:TSF,% Martin:2009:CMG,% Zhang:2007:SEG% }. \NAMECITE{ferromagnet}{% Tchougreeff:2008:CSC% }. \NAMECITE{ferromagnetism}{% Seo:2008:NSC% }. \NAMECITE{{FeS}}{% Mckee:2007:MHE% }. \NAMECITE{{Feynman}}{% Rico:2007:GBS% }. \NAMECITE{Field}{% Murga:2001:NAC,% Aleksandrov:2006:TMC,% Allinger:2003:AEC,% Anonymous:2006:EMC,% Anonymous:2006:EZX,% Autenrieth:2004:CFF,% Buenker:2002:UEM,% Cacelli:2009:FFM,% Cao:2009:RDP,% Ceccarelli:2003:IFF,% Chen:2009:CTS,% Chong:2003:SGF,% Christianson:2000:ITC,% Comba:2002:NMM,% Cournia:2005:MMF,% Damm:2000:RPF,% Darkhovskii:2003:LHS,% Darrigan:2003:IFF,% Deeth:2005:DIL,% Dixon:2005:QUS,% Donchev:2008:APG,% Du:2008:MFT,% Duan:2003:PCF,% Ewig:2001:DCI,% Fatmi:2007:QMC,% Ferrari:2006:SPS,% Ferre:2002:SFF,% Foloppe:2000:AAE,% Gallicchio:2002:SNH,% Galvan:2004:NML,% Garavelli:2003:SAI,% Guvench:2008:AEF,% Hassinen:2001:NET,% Hayes:2004:FFD,% He:2009:EPS,% Heine:2007:CIM,% Hogberg:2008:MCF,% Huey:2007:SFE,% Iori:2009:GAF,% Iwaoka:2003:SFF,% Iwaoka:2009:SFF,% Jagielska:2007:OIH,% Jha:2005:FFV,% Jojart:2007:PGA,% Jung:2004:CMF,% Kahn:2002:POA,% Kaminski:2002:DPF,% Kang:2006:KBD,% Karafiloglou:2006:CDS,% Katagiri:2008:IPS,% Katritch:2003:INM,% Kim:2009:CSP,% Kirschner:2003:MMF,% Kirschner:2008:GGB,% Komaromi:2008:DGR,% Kony:2002:IOA,% Kosinsky:2004:DFF,% Kuttel:2002:CSS,% Lamprecht:2000:MMF,% Larin:2008:CEF,% Larin:2008:EFC,% Li:2004:CMTb,% Liivat:2005:DFF,% Lins:2005:NGF,% Lopes:2009:PEF,% MacCallum:2003:CWC,% MacKerell:2000:AAE,% Macias:2005:CII,% Malcolm:2003:IAL,% Masella:2008:CPF,% Mayaan:2007:CFF,% McQuaid:2004:DVC,% Meagher:2003:DPP,% Merzel:2006:NFF,% Nakano:2002:QDP,% Nanias:2005:PSP,% Oda:2005:NAF,% Ode:2008:FFP,% Ono:2000:PFE,% Ono:2002:CFF,% Oostenbrink:2004:BFF,% Otte:2009:FFP,% Patel:2004:CFCa,% Patel:2004:CFCb,% Petridis:2009:MMF,% 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Patra:2004:SCF,% Price:2002:MPF,% Rafat:2007:AAP,% Rico:2004:EPF,% Rosso:2008:SDP,% Sakharov:2009:FFI% }. \NAMECITE{files}{% Ford:2007:AFC% }. \NAMECITE{fill}{% Rodriguez-Ropero:2008:MDC% }. \NAMECITE{find}{% Hirsch:2002:IRM,% Wroblewska:2007:CPB% }. \NAMECITE{Finding}{% Betancourt:2001:FNH,% Quapp:2007:FTS,% Galvan:2008:IEN,% Raos:2000:IMF% }. \NAMECITE{fine}{% Vadali:2004:SFG% }. \NAMECITE{fine-grained}{% Vadali:2004:SFG% }. \NAMECITE{fingerprints}{% Lee:2006:ABS% }. \NAMECITE{Finite}{% Ellzey:2007:FGT,% Murga:2001:NAC,% Anisimov:2009:QQD,% Artemyev:2004:FBS,% Baker:2000:AMF,% Begue:2001:DFF,% Bieniasz:2004:FOA,% Bieniasz:2004:IAS,% Boschitsch:2004:HBE,% Darrigan:2003:IFF,% Derosa:2009:CSD,% Goncalves:2004:NAH,% Holst:2000:AMF,% Holst:2001:EAM,% Kurtulus:2006:ESC,% Prabhu:2004:ITS,% Rafat:2007:VIQ,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc,% Vizcarra:2008:IPD% }. \NAMECITE{finite-chain}{% Derosa:2009:CSD% }. \NAMECITE{finite-difference}{% Bieniasz:2004:FOA,% 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Wang:2005:RBA% }. \NAMECITE{first-row}{% Allinger:2000:VWE,% Baker:2003:AOO,% Lovallo:2003:DNP% }. \NAMECITE{fit}{% Berente:2007:CEE,% Shyu:2009:RBU% }. \NAMECITE{fitted}{% Yakovenko:2008:KAC% }. \NAMECITE{Fitting}{% Kristyan:2001:FAC,% Marun:2005:FCP,% Weigend:2008:HFE% }. \NAMECITE{five}{% Strassner:2002:MPF,% VanEijck:2002:CSP% }. \NAMECITE{five-coordinated}{% Strassner:2002:MPF% }. \NAMECITE{fixed}{% Hom:2006:SAF% }. \NAMECITE{fixed-composition}{% Hom:2006:SAF% }. \NAMECITE{{Flex}}{% Girones:2004:TFE% }. \NAMECITE{flexibility}{% Barbe:2008:IDF,% Beke:2004:FP,% Kairys:2002:EDM,% Katritch:2003:INM,% Morris:2009:AAA,% Oostenbrink:2003:SSP% }. \NAMECITE{Flexible}{% Chae:2001:FMS,% Nemukhin:2003:FEF,% Yang:2000:FLD,% Alcaro:2000:QFA,% Alcaro:2007:QFA,% Alfonso:2003:FNE,% Apgar:2009:CEM,% Barone:2009:HMD,% Bastard:2003:DMF,% Brylinski:2008:QDL,% Cassam-Chenai:2006:VMF,% Cecchini:2004:ADH,% Chen:2007:SSO,% Daeyaert:2007:AAC,% Girones:2004:TFE,% Huang:2009:CSP,% Jacob:2008:FIF,% 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Vaiana:2003:MMF,% Xie:2005:EEG% }. \NAMECITE{fluoride}{% Bickelhaupt:2007:CVI,% Infante:2004:QMS% }. \NAMECITE{fluorides}{% Kasalova:2005:SEA% }. \NAMECITE{fluorinated}{% Chandra:2003:ISS% }. \NAMECITE{fluorobenzene}{% Zotti:2008:ABF% }. \NAMECITE{fluorobutanal}{% Norberg:2008:MRR% }. \NAMECITE{fluorocarbons}{% Jiang:2002:CPE% }. \NAMECITE{fluoroglycine}{% Headley:2000:TAF% }. \NAMECITE{fluoromethylene}{% Zhang:2004:TSR% }. \NAMECITE{flux}{% Dyrka:2008:IFT,% Rodriguez:2009:EGB,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc% }. \NAMECITE{fly}{% Kent:2007:EAF% }. \NAMECITE{FMO}{% Fedorov:2004:NHP,% Fedorov:2006:PCM,% Komeiji:2009:FMO% }. \NAMECITE{FO}{% Gogtas:2008:TDQ% }. \NAMECITE{focal}{% Kahn:2008:IEF% }. \NAMECITE{Fock}{% Rubensson:2007:HSM,% Tatewaki:2003:GTF,% Wang:2004:ECL,% Akama:2007:IDC,% Bour:2000:CHF,% Cullen:2004:PHF,% Dehareng:2000:HFI,% Gillan:2008:HPC,% Haiduke:2004:PVG,% Mitchell:2000:MSP,% Mitin:2003:PSI,% Perczel:2003:PMX,% Pernpointner:2000:PFC,% 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\NAMECITE{Force}{% Cacelli:2009:FFM,% Jha:2005:FFV,% Ode:2008:FFP,% Otte:2009:FFP,% Saito:2009:FFP,% Sakharov:2009:FFI,% Zhou:2009:FFC,% Alabugin:2007:RGM,% Aleksandrov:2006:TMC,% Allinger:2003:AEC,% Almlof:2004:BAP,% Anonymous:2006:EMC,% Anonymous:2006:EZX,% Autenrieth:2004:CFF,% Cao:2009:RDP,% Carpenter:2002:CPC,% Ceccarelli:2003:IFF,% Christianson:2000:ITC,% Comba:2002:NMM,% Cournia:2005:MMF,% Damm:2000:RPF,% Donchev:2008:APG,% Duan:2003:PCF,% Ewig:2001:DCI,% Ferrari:2006:SPS,% Ferre:2002:SFF,% Foloppe:2000:AAE,% Garavelli:2003:SAI,% Guvench:2008:AEF,% Hassinen:2001:NET,% Hayes:2004:FFD,% He:2009:EPS,% Hermida-Ramon:2003:IIP,% Hnizdo:2003:STI,% Hogberg:2008:MCF,% Huey:2007:SFE,% Iori:2009:GAF,% Iwaoka:2003:SFF,% Iwaoka:2009:SFF,% Jagielska:2007:OIH,% Jojart:2007:PGA,% Kahn:2002:POA,% Kaminski:2002:DPF,% Kang:2006:KBD,% Katagiri:2008:IPS,% Katritch:2003:INM,% Kim:2009:CSP,% Kirschner:2003:MMF,% Kirschner:2008:GGB,% Klein:2003:HBD,% Komaromi:2008:DGR,% Kony:2002:IOA,% Kosinsky:2004:DFF,% Kuttel:2002:CSS,% Lammers:2008:RFF,% Lamprecht:2000:MMF,% Lamsabhi:2009:MDP,% Lee:2009:BHR,% Liivat:2005:DFF,% Lins:2005:NGF,% Lopes:2009:PEF,% MacCallum:2003:CWC,% MacKerell:2000:AAE,% Macias:2005:CII,% Mackerell:2004:EFF,% Mackerell:2004:ETB,% Makowska:2005:TCH,% Masella:2008:CPF,% Mayaan:2007:CFF,% McQuaid:2004:DVC,% Meagher:2003:DPP,% Merzel:2006:NFF,% Nanias:2005:PSP,% Nobeli:2001:EKB,% Oda:2005:NAF,% Okur:2003:UPC,% Ono:2000:PFE,% Ono:2002:CFF,% Oostenbrink:2004:BFF,% Patel:2004:CFCa,% Patel:2004:CFCb,% Patra:2004:SCF,% Petridis:2009:MMF,% Praprotnik:2008:NAA,% Price:2001:GPL,% Price:2002:MPF,% Price:2005:DCB,% Rafat:2007:AAP,% Rajamani:2003:IAU,% Rathinavelan:2007:ETF,% Rosso:2008:SDP,% Ryjacek:2003:NPC,% Salisburg:2009:RTP,% Schuler:2001:IGF,% Schuurman:2005:ILQ,% Sefcik:2002:DCE,% Shen:2005:SMF,% Sherrill:2009:ASF% }. \NAMECITE{force}{% Shi:2003:ESF,% Soares:2005:INA,% Sorin:2005:EFF,% Spiegel:2008:PAB,% Sun:2005:UIF,% Tafipolsky:2007:IPM,% Tran:2001:CATa,% 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}. \NAMECITE{formaldehyde}{% Wu:2005:TSN% }. \NAMECITE{formalism}{% Ayala:2000:ECL,% Feldgus:2000:NRT,% Yokojima:2003:DMF% }. \NAMECITE{formalisms}{% Chocholousova:2006:BAR% }. \NAMECITE{formamide}{% Imai:2009:AIB,% Pacios:2006:CSP% }. \NAMECITE{{formamidine}}{% Wu:2008:TSH% }. \NAMECITE{format}{% Tsipis:2007:GFE% }. \NAMECITE{{Formate}}{% Condic-Jurkic:2008:MAB,% Nakai:2006:EDA% }. \NAMECITE{{Formate-Lyase}}{% Condic-Jurkic:2008:MAB% }. \NAMECITE{formates}{% Chandra:2003:ISS% }. \NAMECITE{Formation}{% Jena:2007:FNO,% Ramirez-Anguita:2009:FPDa,% Ramirez-Anguita:2009:FPDb,% Bohm:2006:CEF,% Bras:2008:MSF,% Cloud:2003:SED,% Exner:2004:EFM,% Hirama:2003:PMH,% Ju:2005:SEH,% Klein:2002:ICS,% Langley:2001:MMCc,% Liu:2008:TSS,% Neese:2003:IRI,% Repasky:2002:ISH,% Rousseau:2000:AEC,% Tarasov:2008:NCM,% Toropov:2009:QME,% Winget:2004:EFB,% Wu:2009:APH,% Zhang:2009:TUV,% deOliveira:2001:DHF,% Jena:2008:RHA% }. \NAMECITE{formed}{% Lin:2002:TSS,% Loeffler:2001:CSD% }. \NAMECITE{formic}{% Pacios:2006:CSP% }. \NAMECITE{forming}{% Palfi:2008:HSC% }. \NAMECITE{forms}{% Slepoy:2007:SGO% }. \NAMECITE{formulas}{% Ishida:2002:ACE,% Torii:2002:ICM% }. \NAMECITE{formulation}{% Boschitsch:2007:NOB,% Cullen:2008:ADM,% Petrella:2005:EEF% }. \NAMECITE{formyl}{% Gil:2009:IIC,% Hudaky:2001:PMX,% Perczel:2003:TDD% }. \NAMECITE{formylglycinamide}{% Hermida-Ramon:2003:IIP% }. \NAMECITE{forward}{% Kegerreis:2007:OMC,% Shen:2004:HPS% }. \NAMECITE{Four}{% Saue:2002:FCR,% Fan:2008:TSF,% Gourlaouen:2006:RGM,% Laikov:2007:NFA,% Pernpointner:2000:PFC,% Pernpointner:2003:PFC,% Strassner:2002:MPF% }. \NAMECITE{four-}{% Laikov:2007:NFA,% Strassner:2002:MPF% }. \NAMECITE{four-centers}{% Garcia-Yoldi:2007:OTE% }. \NAMECITE{Four-component}{% Saue:2002:FCR,% Gourlaouen:2006:RGM,% Pernpointner:2000:PFC,% Pernpointner:2003:PFC% }. \NAMECITE{four-index}{% Pernpointner:2000:PFC% }. \NAMECITE{four-membered}{% Fan:2008:TSF% }. \NAMECITE{{Fourier}}{% Baker:2007:PDG,% Cervellino:2006:EEF,% Huang:2005:AFF,% Tamaoki:2005:STF% }. \NAMECITE{fourth}{% Bieniasz:2004:FOA,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc% }. \NAMECITE{fourth-order}{% Bieniasz:2004:FOA,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc% }. \NAMECITE{{FPT}}{% Barone:2001:NJC% }. \NAMECITE{fractal}{% Panczyk:2007:CIG,% Tarasov:2008:NCM,% Xu:2000:UFS% }. \NAMECITE{fractional}{% Morreale:2003:CDC,% Shi:2008:IME% }. \NAMECITE{fragilis}{% Suarez:2002:MDS% }. \NAMECITE{Fragment}{% Du:2009:FBQ,% Chiba:2008:PCM,% Devereux:2009:TIF,% Fedorov:2004:NHP,% Fedorov:2006:PCM,% Fedorov:2007:ATB,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Ishikawa:2009:TSP,% Komeiji:2007:CPE,% Martineau:2004:BFD,% Milgram:2008:SIK,% Nakamura:2009:RKD,% Nemukhin:2003:FEF,% Netzloff:2004:FFD,% Ozawa:2008:CHB,% Slipchenko:2007:EEE,% Zhang:2009:AFE,% Komeiji:2009:FMO% }. \NAMECITE{Fragment-based}{% Du:2009:FBQ% }. \NAMECITE{fragmental}{% Curutchet:2003:TFC% }. \NAMECITE{fragmentation}{% Goraczko:2001:MMF% }. \NAMECITE{fragments}{% Addicoat:2009:KCS,% Dardenne:2001:RFU,% DeSancho:2005:EMA,% Kedzierski:2001:ATA,% Leherte:2008:CMR,% Netzloff:2004:FFD,% Pendas:2007:CFR% }. \NAMECITE{Framework}{% Johnston:2005:FBD,% Chiodo:2008:DSO,% Echenique:2008:EMC,% Fradera:2004:SOA,% Tafipolsky:2007:IPM,% Tielens:2009:ERF% }. \NAMECITE{Framework-based}{% Johnston:2005:FBD% }. \NAMECITE{{Franck}}{% Amatatsu:2002:ISE,% Lee:2009:CIF,% Toniolo:2001:ECF% }. \NAMECITE{Free}{% Das:2009:FES,% Goncalves:2003:FES,% Jayaram:2002:FEC,% Meinke:2009:FED,% Pappalardo:2003:FEP,% Yang:2007:FEP,% Anderson:2006:MSR,% Baker:2000:HIS,% Bartels:2005:AFE,% Basilevsky:2006:CHF,% Benzi:2005:BCF,% Blondel:2004:EVF,% Carlsson:2003:IPE,% Chen:2009:CTS,% Chen:2009:PRW,% Chen:2013:EPR,% Chipot:2003:RDC,% Christ:2009:CTE,% Cieplak:2001:MMM,% Cruz-Monteagudo:2007:CCD,% Cummins:2005:CMS,% Curutchet:2006:DRC,% Donnini:2005:IEI,% Fajer:2009:UMF,% Gallicchio:2002:SNH,% Galvan:2004:NML,% Geerke:2009:DCF,% Goette:2009:ACF,% Gohlke:2004:CFE,% 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Schuler:2001:IGF% }. \NAMECITE{groove}{% Bosch:2003:BPM% }. \NAMECITE{grossular}{% Zicovich-Wilson:2008:ISI% }. \NAMECITE{Ground}{% Hauck:2001:GSS,% Page:2003:GES,% Preuss:2004:GES,% Bucinsky:2009:REG,% Camacho:2009:ISM,% Falzon:2006:PSC,% Fores:2000:TCI,% Ivanic:2003:MMG,% Kristyan:2009:IPT,% Le:2001:ISC,% Zhou:2006:CSG% }. \NAMECITE{Ground-}{% Preuss:2004:GES% }. \NAMECITE{Ground-state}{% Hauck:2001:GSS,% Kristyan:2009:IPT,% Le:2001:ISC,% Zhou:2006:CSG% }. \NAMECITE{group}{% Autenrieth:2004:CFF,% Chesnut:2004:NBS,% DeProft:2003:HPE,% Ellzey:2007:FGT,% Exner:2004:EFM,% Ju:2005:SEH,% Jug:2000:MPT,% Koslowski:2003:IGM,% Landis:2007:VEV,% Marechal:2000:TMH,% Mobli:2005:QVC,% Repasky:2002:ISH,% Rutkowska-Zbik:2007:TDF,% Ryjacek:2003:NPC,% Sapre:2009:GCO,% Sarma:2000:LSY,% Tokmachev:2006:EGF,% deSouza:2000:CPA% }. \NAMECITE{groups}{% Bohm:2009:ITF,% Exner:2004:EFM,% Fan:2008:TSF,% VanEijck:2002:CSP,% Wright:2009:SCC% }. \NAMECITE{growing}{% Quapp:2007:FTS% }. \NAMECITE{grown}{% Wu:2006:DDS% }. \NAMECITE{Growth}{% Tsipis:2007:GFE,% Huo:2002:CAS% }. \NAMECITE{{Grubbs}}{% Yang:2007:FEP% }. \NAMECITE{{Grubbs}-}{% Yang:2007:FEP% }. \NAMECITE{{GS}}{% Meinke:2009:FED% }. \NAMECITE{{GS-}}{% Meinke:2009:FED% }. \NAMECITE{{GTO}}{% Chong:2003:SGF,% Rico:2001:CBG% }. \NAMECITE{guanine}{% Ekanayake:2007:MTS,% Gu:2007:IGQ,% Haranczyk:2008:SSO,% Jena:2007:FNO,% Kumar:2004:TSS,% Meyer:2001:DFS,% Meyer:2005:ISP,% Shukla:2000:ISE% }. \NAMECITE{guanine-}{% Meyer:2005:ISP% }. \NAMECITE{guanine-cytosine}{% Kumar:2004:TSS% }. \NAMECITE{guess}{% Quapp:2007:FTS% }. \NAMECITE{guest}{% Liddell:2004:ASS,% Oostenbrink:2009:EFE% }. \NAMECITE{{GUI}}{% Jo:2008:CGW,% Seeliger:2009:TGV% }. \NAMECITE{Guide}{% Shaik:2008:CGV,% Woods:2001:BRB,% Young:2011:CCP,% Bickelhaupt:2009:BRB% }. \NAMECITE{guideline}{% Meller:2002:MFG% }. \NAMECITE{H}{% Alcaro:2007:QFA,% Balucani:2001:GPD,% Barone:2001:NJC,% Bu:2000:ODD,% Carballeira:2000:IIG,% Cioslowski:2001:FPC,% DelCarmenMichelini:2004:ETA,% Gourlaouen:2006:RGM,% Helal:2002:ICS,% Imamura:2008:EDA,% Ishida:2003:LIS,% Lacaze-Dufaure:2001:IMM,% Le:2001:ISC,% Li:2002:MMG,% Li:2004:DDS,% Liu:2008:TSS,% Luo:2009:AES,% Masamura:2001:IMOa,% Masamura:2001:IMOb,% Masgrau:2003:DRC,% Sheng:2004:TSR,% Tamaoki:2005:STF,% Uchimaru:2003:IIR,% Wang:2006:TSS,% Xie:2006:RRC,% Zhang:2004:DLI,% Zhang:2006:ISI,% delRio:2000:TSR,% Chandra:2008:BSC,% Cheng:2009:SSC,% Chong:2003:SGF,% Dallos:2002:DEM,% Donchev:2008:NET,% Ema:2003:PBS,% Gogtas:2008:TDQ,% Hou:2007:DSD,% Intharathep:2006:IQM,% Lai:2007:COR,% Lee:2007:DIC,% Li:2002:MMG,% Li:2005:DPT,% Liu:2001:RGC,% Lu:2007:SSH,% Lundberg:2005:ABE,% Luo:2009:AES,% Marsal:2002:VTV,% McDowell:2008:CSS,% Morita:2008:PCSb,% Neihsial:2008:NHB,% Ohta:2004:IBC,% Peiro-Garcia:2003:TIS,% Pitarch-Ruiz:2003:VSC,% Pykavy:2007:SQC,% Rocha:2006:RRA,% Rosta:2009:ARC,% Saito:2005:FEC,% Schwobel:2009:MHB,% Sheng:2004:IDD,% Wang:2006:TMS,% Watanabe:2006:RGB,% Weigend:2008:HFE,% Williams:2001:IIFb,% Wu:2002:DID,% Yamabe:2007:TSR,% Zhang:2001:CRE% }. \NAMECITE{{H}-bonded}{% Li:2005:DPT,% McDowell:2008:CSS,% Neihsial:2008:NHB% }. \NAMECITE{H-NMR}{% Alcaro:2007:QFA% }. \NAMECITE{{H5N1}}{% Das:2009:FES% }. \NAMECITE{Hairpin}{% Zou:2009:HPQ,% Cheng:2009:SSC,% Ikeda:2003:HHI,% Lee:2009:BHR% }. \NAMECITE{Hairpins}{% Ikeda:2003:HHI,% Derreumaux:2000:PHH% }. \NAMECITE{Half}{% Flores-Moreno:2006:HNE,% Prabhakar:2003:CMR,% Prabhakar:2006:DSM% }. \NAMECITE{Half-numerical}{% Flores-Moreno:2006:HNE% }. \NAMECITE{half-reaction}{% Prabhakar:2003:CMR,% Prabhakar:2006:DSM% }. \NAMECITE{halide}{% Ren:2004:MGL,% Chaumont:2002:MQT% }. \NAMECITE{halides}{% Adamo:2000:SPL,% Lee:2004:IDS,% Lu:2002:GTN,% Zeng:2007:EAH% }. \NAMECITE{{Hall}}{% Sapre:2008:CMT% }. \NAMECITE{halo}{% Tsipis:2002:MAD% }. \NAMECITE{halo-hydroxyformaldoxime}{% Tsipis:2002:MAD% }. \NAMECITE{haloacid}{% Nakamura:2009:RKD% }. \NAMECITE{haloalkane}{% Cloud:2003:SED% }. \NAMECITE{halogen}{% Brana:2003:TAM,% Fukawa:2001:REH,% Galvez:2009:CTT,% Lu:2009:ICH% }. \NAMECITE{halogen-bonded}{% Lu:2009:ICH% }. \NAMECITE{halogenated}{% Sun:2008:SSH,% Tang:2001:EIC,% Tang:2001:ICS% }. \NAMECITE{halogens}{% Tubert-Brohman:2004:EPP% }. \NAMECITE{halothane}{% Tang:2001:EIC,% Tang:2001:ICS% }. \NAMECITE{{Hamiltonian}}{% Faraldo-Gomez:2007:CCE,% Forti:2008:EMC,% Marsal:2002:VTV,% Salvador:2006:GEI,% Zicovich-Wilson:2004:CVF% }. \NAMECITE{{Hamiltonians}}{% Christ:2009:CTE% }. \NAMECITE{hand}{% Delalande:2009:CMA% }. \NAMECITE{handle}{% Girones:2004:TFE,% Goncalves:2004:NAH% }. \NAMECITE{{Hansen}}{% Belmares:2004:HHS% }. \NAMECITE{Haptic}{% Marti:2009:HQC% }. \NAMECITE{hard}{% Tiraboschi:2000:PIM,% Zhao:2009:FPI% }. \NAMECITE{hardness}{% Putz:2004:AHP,% Torrent-Sucarrat:2007:QHK,% Torrent-Sucarrat:2008:HKB% }. \NAMECITE{hardware}{% Amisaki:2003:DHA% }. \NAMECITE{harmonic}{% Carbonniere:2005:VCB,% Ishida:2002:ACE,% Tatsumi:2004:HMM% }. \NAMECITE{{Harris}}{% Cullen:2004:PHF% }. \NAMECITE{Hartree}{% Wang:2004:ECL,% Akama:2007:IDC,% 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}. \NAMECITE{heavier}{% Zeng:2007:EAH% }. \NAMECITE{heavy}{% Barone:2001:NJC,% Sakharov:2009:FFI,% Wang:2004:NEP,% Zhu:2008:ISE% }. \NAMECITE{heavy-metal}{% Zhu:2008:ISE% }. \NAMECITE{{HeC}}{% Varandas:2009:MPP% }. \NAMECITE{Helical}{% Csontos:2008:RCA,% VanMourik:2008:CAB,% Derreumaux:2000:PHH,% Klepeis:2002:IPH,% Liegeois:2009:VRO,% Palermo:2007:ABI,% Palermo:2007:EAB,% Zanuy:2003:TIP% }. \NAMECITE{helicenes}{% Valdes:2008:EIB% }. \NAMECITE{helices}{% Ikeda:2003:HHI% }. \NAMECITE{Helix}{% Barthe:2002:HMP,% Jagielska:2007:OIH,% Lee:2007:IAH,% Palfi:2008:HSC,% Ye:2000:DAC% }. \NAMECITE{{Hellmann}}{% Rico:2007:GBS% }. \NAMECITE{hemagglutinin}{% Das:2009:FES% }. \NAMECITE{heme}{% Autenrieth:2004:CFF,% Marechal:2000:TMH,% Oda:2005:NAF,% Rohrig:2009:DHP,% Rutkowska-Zbik:2007:TDF% }. \NAMECITE{hemicarcerand}{% Liddell:2004:ASS% }. \NAMECITE{hemoglobin}{% Marechal:2006:DSR,% Saito:2007:NMD,% Seno:2006:ATS% }. \NAMECITE{{Henry}}{% Schuurmann:2000:PHL,% Tielens:2000:QCC% }. \NAMECITE{{hept}}{% Sun:2008:SSH% }. \NAMECITE{{hept-C}}{% Sun:2008:SSH% }. \NAMECITE{heptafluoropropane}{% Lee:2007:DIC% }. \NAMECITE{heptagon}{% Sun:2008:SSH% }. \NAMECITE{heptagon-containing}{% Sun:2008:SSH% }. \NAMECITE{heptapeptide}{% Ozkan:2004:CSP,% Yasar:2002:EMS% }. \NAMECITE{herbicidal}{% Xi:2006:DGQ% }. \NAMECITE{{hERG}}{% Masetti:2008:MHP% }. \NAMECITE{{Hess}}{% Yoshizawa:2009:REC% }. \NAMECITE{{Hessian}}{% Kolossvary:2001:HFL,% Nakamura:2002:NMP% }. \NAMECITE{{Hessian}-free}{% Kolossvary:2001:HFL% }. \NAMECITE{{Hessians}}{% Alexeev:2007:PDD,% Chuang:2007:CRC% }. \NAMECITE{heteroaromatic}{% Lopes:2009:PEF% }. \NAMECITE{heterobimetallic}{% Rocha:2000:CIR% }. \NAMECITE{heterochiral}{% Zhou:2006:CSG% }. \NAMECITE{heterocycles}{% Fuster:2000:DSS,% Mandado:2007:QCD% }. \NAMECITE{heterofluorenes}{% Chen:2007:SEO% }. \NAMECITE{heterogeneity}{% Hofinger:2001:DRP,% Zarzycki:2005:RSH% }. \NAMECITE{heterogeneous}{% Feldmann:2008:MWB,% Zarzycki:2004:SPA% }. \NAMECITE{heterohelicenes}{% Liegeois:2009:VRO% }. \NAMECITE{heterolevel}{% Echenique:2008:EMC% }. \NAMECITE{heteropentalenes}{% Cuesta:2006:SMN% }. \NAMECITE{heteropolymers}{% Schluttig:2008:CMD% }. \NAMECITE{Heuristic}{% Du:2005:HML,% Du:2006:HML,% Contreras:2008:UTS,% Izrailev:2006:DGH% }. \NAMECITE{{Heusler}}{% Gillessen:2009:CSF,% Kurtulus:2006:ESC% }. \NAMECITE{hexadiene}{% Polo:2005:JSB% }. \NAMECITE{hexadiyne}{% Prall:2001:SEB% }. \NAMECITE{hexagonal}{% Baranov:2008:ELH,% Li:2007:EPT% }. \NAMECITE{{Hexahelicene}}{% Liegeois:2009:VRO% }. \NAMECITE{hexamer}{% Naidoo:2001:WSA% }. \NAMECITE{hexatrienaldehyde}{% Zhu:2007:CIS% }. \NAMECITE{hexopyranose}{% Guvench:2008:AEF,% Lins:2005:NGF% }. \NAMECITE{hexopyranose-based}{% Lins:2005:NGF% }. \NAMECITE{HF}{% Bondesson:2012:EBS,% Bondesson:2008:BSD,% French:2001:HES,% Gresh:2004:IIE,% Piquemal:2005:CSD,% Wang:2003:PEM% }. \NAMECITE{{HF/6}}{% French:2001:HES% }. \NAMECITE{{HF/6-31G*}}{% French:2001:HES% }. \NAMECITE{HF/DFT}{% Bondesson:2012:EBS,% Bondesson:2008:BSD% }. \NAMECITE{{HF/MP2}}{% Gresh:2004:IIE% }. \NAMECITE{{HFCO}}{% Junquera-Hernandez:2005:MAS% }. \NAMECITE{Hg}{% Gourlaouen:2006:RGM,% Bucinsky:2009:REG,% Watanabe:2006:RGB% }. \NAMECITE{{H{}H}}{% Casadesus:2004:TES% }. \NAMECITE{{HI}}{% Kim:2008:RMD% }. \NAMECITE{Hiberty}{% Bickelhaupt:2009:BRB% }. \NAMECITE{hidden}{% Fischer:2007:IBC,% Huang:2005:IHM,% Rafat:2007:AAP% }. \NAMECITE{hierarchic}{% Rubensson:2007:HSM% }. \NAMECITE{Hierarchical}{% Loksha:2009:SSH,% Cho:2005:MDH,% Doruker:2002:DLP,% Fedorov:2004:NHP,% Leong:2009:PHC,% Umeda:2009:PFM% }. \NAMECITE{High}{% Binning:2008:HSV,% Gillan:2008:HPC,% Li:2003:HDM,% Arnaud:2003:TSI,% Borras-Almenar:2001:SNU,% Carpenter:2002:APA,% Choe:2005:EAC,% Darkhovskii:2003:LHS,% Gallicchio:2004:AAI,% Giese:2008:EAT,% Hayes:2004:FFD,% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Kong:2000:QCH,% Kutzner:2007:SPG,% Li:2006:RCV,% Mckee:2007:MHE,% Mckee:2007:MNF,% Mediavilla:2009:MHP,% Rafat:2007:LRB,% Rico:2007:GBS,% Rupp:2009:DPH,% Sherrill:2009:ASF,% Wang:2001:HRE,% Wennmohs:2005:DMM,% Xu:2008:USS,% Urata:2002:AII% }. \NAMECITE{High-dimensional}{% Li:2003:HDM,% Li:2006:RCV,% Rupp:2009:DPH% }. \NAMECITE{high-latency}{% Kutzner:2007:SPG% }. \NAMECITE{high-level}{% Wennmohs:2005:DMM% }. \NAMECITE{high-performance}{% Carpenter:2002:APA,% Kong:2000:QCH% }. \NAMECITE{High-precision}{% Gillan:2008:HPC% }. \NAMECITE{high-quality}{% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Sherrill:2009:ASF% }. \NAMECITE{high-rank}{% Rafat:2007:LRB% }. \NAMECITE{high-resolution}{% Gallicchio:2004:AAI,% Wang:2001:HRE% }. \NAMECITE{High-spin}{% Binning:2008:HSV,% Darkhovskii:2003:LHS,% Mckee:2007:MHE,% Mckee:2007:MNF% }. \NAMECITE{high-valent}{% Arnaud:2003:TSI,% Choe:2005:EAC% }. \NAMECITE{higher}{% Bofill:2000:AED,% Li:2005:CBS% }. \NAMECITE{Highly}{% Zhou:2008:HAB,% Bezugly:2008:ELI,% Cecchini:2004:ADH,% Chen:2007:SSO,% Prabhu:2008:EII% }. \NAMECITE{{Hildebrand}}{% Belmares:2004:HHS% }. \NAMECITE{hindering}{% Hnizdo:2003:STI% }. \NAMECITE{{HINT}}{% Concu:2009:CCS% }. \NAMECITE{{Hirshfeld}}{% DeProft:2002:ACD,% DeProft:2003:HPE,% Guerra:2004:VDD% }. \NAMECITE{histogram}{% Kobrak:2003:SSE% }. \NAMECITE{histogram-based}{% Kobrak:2003:SSE% }. \NAMECITE{{HIV}}{% Abrahao-Junior:2001:CAH,% Arenas:2009:PAB,% Bartels:2005:AFE,% Cai:2002:SVM,% David:2000:CGB,% Kruger:2008:ECS,% Niu:2009:HPC,% Sirois:2003:DFS,% Suresh:2008:RSW,% Vilar:2007:IDS,% Wittayanarakul:2008:APP% }. \NAMECITE{{HIV-1}}{% Abrahao-Junior:2001:CAH,% Arenas:2009:PAB,% Bartels:2005:AFE,% Kruger:2008:ECS,% Niu:2009:HPC,% Sirois:2003:DFS,% Vilar:2007:IDS,% Wittayanarakul:2008:APP% }. \NAMECITE{{HLA}}{% Kosmopoulou:2006:CEL,% Wan:2004:LSM% }. \NAMECITE{{HLA-A*0201}}{% Wan:2004:LSM% }. \NAMECITE{{HLA-DQ2}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{{HLA-DQ2/DQ7}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{{HLA-DQ8}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{HMLP}{% Du:2005:HML,% Du:2006:HML% }. \NAMECITE{Hoboken}{% Bickelhaupt:2009:BRB% }. \NAMECITE{{hOGG1}}{% Pinak:2003:OLB% }. \NAMECITE{hole}{% Li:2001:ETB,% Suo:2005:PMB% }. \NAMECITE{hole-particle}{% Suo:2005:PMB% }. \NAMECITE{holes}{% Ponec:2003:CSA,% Ponec:2005:CSA,% Ponec:2007:EPC,% Ponec:2008:SBB% }. \NAMECITE{homoalanine}{% Mayer:2000:CDC% }. \NAMECITE{homochiral}{% Zhou:2006:CSG% }. \NAMECITE{homoconjugation}{% Makowska:2005:TCH% }. \NAMECITE{homogeneous}{% Feldmann:2008:MWB,% Pogliani:2003:CGC% }. \NAMECITE{homologous}{% Capar:2007:OEE% }. \NAMECITE{homology}{% Ke:2006:SVC,% Kosmopoulou:2006:CEL,% Ozawa:2008:CHB,% Schulz-Gasch:2003:MIO,% Yuzlenko:2009:MMA% }. \NAMECITE{homopolypeptides}{% Jagielska:2007:OIH% }. \NAMECITE{homotops}{% Tsipis:2007:GFE% }. \NAMECITE{Hongxing}{% Anonymous:2006:EZX% }. \NAMECITE{{HOO}}{% Bil:2006:HRH% }. \NAMECITE{{Hoover}}{% Queyroy:2009:NEE% }. \NAMECITE{hormone}{% Huo:2002:CAS% }. \NAMECITE{host}{% Cioslowski:2001:FPC,% Liddell:2004:ASS,% Oostenbrink:2009:EFE% }. \NAMECITE{host-guest}{% Oostenbrink:2009:EFE% }. \NAMECITE{Hou}{% Jorgensen:2012:LEC% }. \NAMECITE{{HOX}}{% Wang:2004:DID% }. \NAMECITE{{HP}}{% Vilar:2008:QMA% }. \NAMECITE{{HP}-lattice}{% Vilar:2008:QMA% }. \NAMECITE{{HSAB}}{% Putz:2004:AHP% }. \NAMECITE{Hua}{% Jorgensen:2012:LEC% }. \NAMECITE{{H{\"u}ckel}}{% Kutzelnigg:2007:EWL% }. \NAMECITE{human}{% Fukuzawa:2005:IQM,% Higo:2002:HSH,% Huo:2002:CAS,% Leong:2009:PHC,% Perera:2002:PSS,% Vilar:2008:QMA% }. \NAMECITE{{HX}}{% Rankin:2001:DFT% }. \NAMECITE{Hybrid}{% Boschitsch:2004:HBE,% Hori:2003:HQM,% Waller:2006:HDF,% Zwier:2007:HMD,% Abu-Awwad:2000:VPB,% Baker:2000:HIS,% Borowski:2006:EDC,% Das:2003:PHM,% Dkhissi:2009:CHM,% Ferre:2002:SFF,% Field:2000:DLM,% Fornili:2006:SSL,% Garavelli:2003:SAI,% Georgiev:2008:MDE,% Hall:2000:AHQ,% Han:2001:DFS,% Imamura:2007:DCE,% Jacquemin:2008:RRB,% Jiang:2009:PPF,% Kaupp:2002:CET,% Kawamura:2004:HAC,% Lee:2004:EHE,% Lin:2009:NHD,% Lundberg:2005:ABE,% Marechal:2000:TMH,% Matsuura:2006:AEA,% Poater:2001:PBL,% Roy:2008:DMI,% Szabelski:2008:SSH,% Takahashi:2001:HQM,% Tatsumi:2004:HMM,% Wang:2009:SDE,% Xiong:2008:DSP,% Zhang:2004:DLI% }. \NAMECITE{Hybridized}{% Shen:2004:HPS% }. \NAMECITE{hybrids}{% Gao:2009:TSF,% Kang:2007:TSF% }. \NAMECITE{hydrate}{% Ida:2002:ESS% }. \NAMECITE{hydrated}{% Intharathep:2005:SDH,% Xie:2004:HBS,% Yan:2009:EED% }. \NAMECITE{hydrates}{% English:2003:SDP% }. \NAMECITE{Hydration}{% Burda:2005:HPA,% Chuev:2008:HIS,% Higo:2002:HSH,% Basilevsky:2006:CHF,% Corzana:2004:HSL,% Gallicchio:2002:SNH,% Hamaneh:2009:RPH,% Han:2001:AMS,% Henchman:2002:EHS,% Labute:2008:GBV,% Loeffler:2001:CSD,% Massi:2003:SDA,% Nakagawa:2000:TSC,% Oostenbrink:2004:BFF,% Patra:2004:SCF,% Pinak:2001:MDS,% Rankin:2003:THP,% Udier-Blagovic:2004:AFE,% Xu:2007:MOA% }. \NAMECITE{hydration-parametrized}{% Rankin:2003:THP% }. \NAMECITE{hydrazines}{% Blomgren:2001:ETB% }. \NAMECITE{hydrazone}{% Lu:2009:GEA% }. \NAMECITE{Hydride}{% Garcia-Viloca:2003:HTC,% Jongejan:2001:DHT,% Li:2002:MMG% }. \NAMECITE{hydrides}{% Kruger:2001:DSH,% Swart:2006:PAM,% deSouza:2000:CPA% }. \NAMECITE{hydridotris}{% Harman:2005:CDD% }. \NAMECITE{hydrindans}{% Honda:2008:ECD% }. \NAMECITE{hydrocarbon}{% Cioslowski:2001:FPC,% Knippenberg:2006:GFS,% Liu:2006:MCH,% Wang:2009:PPT,% Whitehead:2001:MDS% }. \NAMECITE{hydrocarbons}{% Borosky:2003:TSC,% Brana:2003:TAM,% Exner:2004:EFM,% Fias:2008:MDI,% Liu:2008:EBO,% Mandado:2007:CGT,% Schuler:2001:IGF,% Vijayalakshmi:2008:TSC,% Wang:2001:APP,% Wu:2000:VBC,% Zhao:2007:CDQ% }. \NAMECITE{Hydrodynamic}{% Barone:2009:HMD% }. \NAMECITE{Hydrogen}{% Alhambra:2000:HBI,% Klein:2003:HBD,% Robertazzi:2004:HBS,% Xie:2004:HBS,% Zeng:2004:HBS,% Allinger:2000:VWE,% Altun:2006:SQM,% Beck:2007:HRA,% Bernal-Uruchurtu:2000:IDH,% Bil:2006:HRH,% Chandra:2000:KHA,% Chandra:2003:ISS,% Chandra:2008:BSC,% Chong:2004:ETS,% Cieplak:2001:MMM,% Cuesta:2009:URC,% DeSancho:2007:ECG,% Escudero:2009:IBA,% Galano:2001:OHA,% Haiduke:2005:ARU,% Haiduke:2006:ARAa,% Hermida-Ramon:2007:BSH,% Hirama:2003:PMH,% Hopkins:2003:MAI,% Howard:2004:ICH,% Inada:2008:ENB,% Jezierska:2009:IOH,% Ji:2007:KMH,% Klein:2002:ICS,% Lai:2007:COR,% Lee:2007:DIC,% Li:2004:DDS,% Liu:2009:TDD,% Mckee:2007:MHE,% Mirzaei:2008:CNS,% Nguyen:2005:CEI,% Ozawa:2008:CHB,% Pacios:2001:III,% Pacios:2006:CSP,% Pacios:2006:VAC,% Pogliani:2006:HPM,% Rao:2000:MSH,% Raub:2007:QCI,% Sirois:2003:DFS,% Sun:2009:APE,% Tejero:2007:PDS,% Wang:2004:DID,% Wang:2009:FPS,% Williams:2001:IIFa,% Wu:2003:DLD,% Xiao:2002:DID,% Yamabe:2004:CSR,% Zarzycki:2005:RSH,% Zhang:2009:EIM,% Zhao:2008:TDD,% Zhu:2007:CIS,% Zhu:2009:SPH,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb,% Yoshioki:2002:DPW% }. \NAMECITE{hydrogen-abstraction}{% Wang:2004:DID% }. \NAMECITE{hydrogen-bond}{% Raub:2007:QCI,% Sirois:2003:DFS% }. \NAMECITE{hydrogen-bonded}{% Chandra:2008:BSC,% Liu:2009:TDD,% Mirzaei:2008:CNS,% Zhao:2008:TDD,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb% }. \NAMECITE{Hydrogen-bonding}{% Alhambra:2000:HBI,% Zhang:2009:EIM,% Yoshioki:2002:DPW% }. \NAMECITE{hydrogenase}{% Tye:2006:CBC% }. \NAMECITE{hydrolases}{% Otte:2009:FFP% }. \NAMECITE{hydrolyses}{% Deng:2009:NHC,% Lee:2004:IDS% }. \NAMECITE{Hydrolysis}{% Wladkowski:2003:HCP,% Deng:2008:CTS,% Mercero:2000:QMC,% Robertazzi:2004:HBS,% Tantillo:2002:TSD,% Wu:2008:TSH% }. \NAMECITE{hydroperoxy}{% Bil:2006:HRH% }. \NAMECITE{hydrophilicity}{% Du:2006:HML% }. \NAMECITE{Hydrophobic}{% Munoz:2002:HSB,% Chen:2009:PIM,% Hudaky:2001:PMX,% Sun:2007:CSE% }. \NAMECITE{hydroxide}{% Chong:2003:DHA% }. \NAMECITE{hydroxo}{% Arnaud:2003:TSI% }. \NAMECITE{hydroxy}{% Yan:2004:TSS% }. \NAMECITE{hydroxyacetone}{% Wu:2003:ISP% }. \NAMECITE{hydroxyaromatic}{% Bobrowski:2002:ISM% }. \NAMECITE{hydroxyformaldoxime}{% Tsipis:2002:MAD% }. \NAMECITE{hydroxyl}{% Chandra:2000:KHA% }. \NAMECITE{hydroxylase}{% Hofto:2009:IAT% }. \NAMECITE{hydroxymatairesinol}{% Sandberg:2009:CAH% }. \NAMECITE{hydroxyproline}{% Benzi:2002:QMS,% Park:2005:NSM% }. \NAMECITE{hyper}{% Maroulis:2003:IDE,% vanGisbergen:2000:TEE% }. \NAMECITE{hyperconjugation}{% Chandra:2008:BSC% }. \NAMECITE{hyperconjugative}{% Barone:2001:NJC% }. \NAMECITE{Hyperpolarizabilities}{% Murga:2001:NAC,% Calaminici:2002:MLF,% Lin:2009:NHD,% Torii:2002:ICM% }. \NAMECITE{hyperpolarizability}{% Jacquemin:2008:RRB,% Xu:2009:NED% }. \NAMECITE{hypersurface}{% Suvire:2006:DFC% }. \NAMECITE{hypersurfaces}{% Paizs:2001:IBL% }. \NAMECITE{hypochlorous}{% Jena:2008:RHA% }. \NAMECITE{hypothetical}{% Launay:2005:TSS% }. \NAMECITE{hypoxanthine}{% Kumar:2004:TSS% }. \NAMECITE{hypoxanthine-cytosine}{% Kumar:2004:TSS% }. \NAMECITE{{I/O}}{% Shepard:2002:RCE% }. \NAMECITE{{ICFF}}{% Katritch:2003:INM% }. \NAMECITE{icosahedral}{% Ellzey:2007:FGT,% Lee:2000:MBI,% Oliva:2006:CSL% }. \NAMECITE{{IDE}}{% Ganesh:2009:MSC% }. \NAMECITE{{IDEA}}{% Duca:2007:IID% }. \NAMECITE{ideal}{% Panczyk:2007:CIG,% Schwarzl:2002:CCL% }. \NAMECITE{ideal-gas}{% Schwarzl:2002:CCL% }. \NAMECITE{identical}{% Coutsias:2005:RSL% }. \NAMECITE{Identification}{% Clarke:2009:IAP,% Fischer:2007:IBC,% Katzer:2005:ITT,% Pang:2001:ECP,% Shien:2009:ISC% }. \NAMECITE{identify}{% Lee:2006:ABS,% Zhang:2004:SCA% }. \NAMECITE{Identifying}{% Chen:2009:IDR,% Dominy:2002:INL,% Chang:2009:ISV,% Huang:2005:IHM% }. \NAMECITE{identity}{% Distasio:2007:IAA,% Neese:2003:IRI,% Ren:2004:MGL% }. \NAMECITE{idiosyncratic}{% Cruz-Monteagudo:2008:CCA% }. \NAMECITE{II}{% Atanasov:2006:DMC,% Darkhovskii:2003:LHS,% Deeth:2004:PND,% Fuchs:2006:NMP,% Futera:2009:IPS,% Gresh:2005:RZI,% Lehnert:2006:ESI,% Nakai:2006:EDA,% Shalabi:2002:FAF,% Tiraboschi:2000:PIM,% Wysokinski:2001:PDD,% Baker:2000:AMF,% Balta:2004:SEG,% Beran:2003:ICE,% Carpenter:2002:CPC,% Chval:2008:TES,% Ewig:2001:DCI,% Exner:2002:PRSb,% Gonzalez:2007:AERb,% Huang:2006:IKBb,% Ishida:2003:MIG,% Jakalian:2002:FEG,% Klein:2003:HBD,% Langley:2001:MMCa,% Li:2004:CMTb,% Lii:2003:AECa,% Loffler:2006:WED,% MacKerell:2000:AAE,% Oakes:2005:RSP,% Patel:2004:CFCb,% Pernpointner:2003:PFC,% Rudolph:2005:AECb,% Takahashi:2003:TSM,% Titmuss:2002:CLS,% Wang:2002:APP,% Witek:2003:MPT,% Wong:2008:TCM,% vanEijck:2001:ICSa% }. \NAMECITE{III}{% Binning:2008:HSV,% Deeth:2004:PND,% Freire:2005:MLC,% Kritayakornupong:2004:SDC,% Vchirawongkwin:2007:QMM,% Yamanaka:2003:TSS,% Chavez:2004:ICE,% Cummins:2005:CMS,% Keil:2004:PRS,% Langley:2001:MMCb,% Lii:2003:AECb,% Zhu:2005:CMT,% vanEijck:2001:ICSb% }. \NAMECITE{{Illustration}}{% Kinoshita:2002:MPA% }. \NAMECITE{image}{% Iori:2008:IIC,% Xiao:2009:GCC% }. \NAMECITE{{IMiCMO}}{% Morita:2001:INI% }. \NAMECITE{imidazole}{% Jena:2008:RHA,% Pacios:2006:VAC% }. \NAMECITE{imidazoline}{% Xue:2005:DSM% }. \NAMECITE{imide}{% Chen:2009:EMI% }. \NAMECITE{imine}{% Borosky:2003:TSC,% Gherman:2006:CSR% }. \NAMECITE{imipenem}{% Suarez:2002:MDS% }. \NAMECITE{immune}{% Wu:2009:OBC% }. \NAMECITE{immunoglobulin}{% Krol:2003:CVI% }. \NAMECITE{{IMOMO}}{% Vreven:2000:AII% }. \NAMECITE{IMPACT}{% Banks:2005:IMP% }. \NAMECITE{Implementation}{% Akama:2007:IDC,% Crosby:2009:IDN,% Darrigan:2003:IFF,% Koslowski:2003:IGM,% Lee:2007:IAH,% Prabhu:2004:ITS,% Rajamani:2003:IAU,% Storchi:2009:IUD,% Yuki:2007:IIM,% Beuve-Mery:2001:PAC,% Busch:2008:CPD,% Deeth:2005:DIL,% Duret:2008:SEI,% Ferrero:2008:CSP,% Gregersen:2006:CSI,% Jacob:2008:FIF,% Nair:2004:MDI,% Pascale:2004:CVF,% Salvador:2006:GEI,% Shi:2008:IME,% Tokmachev:2001:SIS,% Varekova:2006:OPI,% Walker:2008:IFA,% Yokojima:2003:DMF,% Loferer:2003:QMI,% Valderrama:2003:EPA,% Yakovenko:2008:KAC% }. \NAMECITE{implementations}{% Flocke:2008:EEI% }. \NAMECITE{implemented}{% Hassinen:2001:NET,% Malcolm:2003:IAL% }. \NAMECITE{implementing}{% Olano:2005:FCN% }. \NAMECITE{Implications}{% Anonymous:2006:EFS,% Jagielska:2007:OIH,% Kusama:2005:TSQ,% Curutchet:2003:EDM,% Nguyen:2005:CEI,% Studt:2006:TSM% }. \NAMECITE{implicit}{% Basdevant:2004:SIS,% Basilevsky:2006:CHF,% Gallicchio:2004:AAI,% Jagielska:2007:ITF,% Jiao:2009:TLB,% Katritch:2003:INM,% Krol:2003:CVI,% Labute:2008:GBV,% Lee:2004:EHE,% Mongan:2004:CPM,% Prabhu:2004:ITS,% Prabhu:2008:EII,% Schaefer:2001:EAV,% Sun:2006:CIS,% Walsh:2009:MBW,% Zhang:2001:SMP% }. \NAMECITE{Importance}{% Cho:2005:IAC,% Eyal:2004:ISA,% Zoete:2006:IIS,% Hofto:2009:IAT,% Jang:2006:MPC,% Onufriev:2002:EBR,% Piquemal:2005:CSD,% Prabhakar:2005:CSV,% Tafipolsky:2005:CRP% }. \NAMECITE{important}{% Cournia:2005:MMF,% Estrada:2004:QCD,% Torii:2002:ICM% }. \NAMECITE{improper}{% Tuzun:2000:CIC% }. \NAMECITE{improve}{% Fajer:2009:UMF,% Xu:2007:MOA% }. \NAMECITE{Improved}{% Carlsson:2003:IPE,% Christianson:2000:ITC,% Grimme:2003:ITO,% Hirsch:2002:IRM,% Kahn:2008:IEF,% Kieseritzky:2008:IPC,% Lovallo:2004:IMC,% Repasky:2002:ISH,% Sanville:2007:IGB,% Tuffery:2005:IGA,% Williams:2001:IIFa,% Williams:2001:IIFb,% Cruz-Monteagudo:2008:DBM,% Distasio:2007:IAA,% Kony:2002:IOA,% Malcolm:2003:IAL,% Mazur:2008:ISS,% Moreira:2007:CAS,% Petrella:2003:IMN,% Putz:2004:AHP,% Schuler:2001:IGF,% Schwarzl:2002:CCL,% Soares:2005:INA,% Vizcarra:2008:IPD,% Lovallo:2003:DNP,% Repasky:2002:PPP% }. \NAMECITE{Improvement}{% Shi:2008:IME,% Umeda:2004:IPP,% Neese:2003:IRI% }. \NAMECITE{improves}{% Cao:2009:RDP,% Ruvinsky:2005:NFS% }. \NAMECITE{Improving}{% Bernal-Uruchurtu:2000:IDH,% Bieniasz:2004:IAS,% Galvan:2008:IEN,% Li:2004:IEC,% Lu:2004:IER,% Garavelli:2003:SAI,% Gianese:2006:CPI,% Song:2009:MIP% }. \NAMECITE{in-core}{% Fossgaard:2006:SSM% }. \NAMECITE{inactivation}{% Pereira:2004:MRR% }. \NAMECITE{incidence}{% Yang:2003:NTI% }. \NAMECITE{{InCl}}{% Zou:2005:ETS% }. \NAMECITE{Including}{% Iori:2008:IIC,% Akama:2007:IDC,% Dirks:2003:PFA,% Dirks:2004:ACN,% Grimme:2004:ADV,% Ishida:2003:MIG,% Liu:2008:ETS,% Sakharov:2009:FFI,% Williams:2001:IIFa% }. \NAMECITE{Inclusion}{% Holt:2008:EIQ,% Holt:2008:IQM,% Piquemal:2003:ILF,% Piquemal:2004:EIL% }. \NAMECITE{incomplete}{% Fischer:2007:IBC,% Ishida:2004:AFA% }. \NAMECITE{incompressible}{% Zhao:2009:FPI% }. \NAMECITE{incorporate}{% Katritch:2003:INM% }. \NAMECITE{Incorporating}{% Chang:2009:ISV,% Donnini:2005:IEI,% Huang:2005:IHM,% Shien:2009:ISC,% Hofinger:2001:DRP,% Lin:2007:UPA,% Rabone:2006:IPM% }. \NAMECITE{incorporation}{% Shi:2006:DEP% }. \NAMECITE{Increasing}{% Zheng:2009:ITS,% Benassi:2000:CBS,% Lloyd:2005:SIE,% Yasar:2002:EMS% }. \NAMECITE{independent}{% Fias:2008:MDI,% OBoyle:2008:CLP,% VanEijck:2002:CSP% }. \NAMECITE{index}{% Chae:2001:FMS,% Jiang:2003:NTI,% Munoz:2002:HSB,% Pernpointner:2000:PFC,% Pogliani:2003:CGC,% Yang:2003:NTI,% Yang:2004:MWI,% Yu:2007:PRI% }. \NAMECITE{indexing}{% Hageman:2003:PPI% }. \NAMECITE{indicators}{% Bezugly:2008:ELI,% Heine:2007:CIM% }. \NAMECITE{indices}{% Bochicchio:2003:DAV,% Castillo-Garit:2008:BBC,% Fan:2007:CLS,% Feixas:2008:PSA,% Fias:2008:MDI,% Fradera:2004:SOA,% Gonzalez-Diaz:2007:CCC,% Mandado:2007:CGT,% Mandado:2007:QCD,% Mayer:2007:BOV,% Rao:2000:MSH,% Sapre:2008:CMT,% Torrens:2001:NDI,% Torrent-Sucarrat:2008:HKB,% Wang:2003:CLD,% Wang:2003:PEM,% Wang:2004:ECL% }. \NAMECITE{indium}{% Zou:2005:ETS% }. \NAMECITE{individual}{% Zoete:2006:IIS% }. \NAMECITE{{INDO}}{% Persson:2000:ICS,% Tomlinson:2003:DIS% }. \NAMECITE{{INDO/SCI}}{% Tomlinson:2003:DIS% }. \NAMECITE{indole}{% Li:2001:TSS% }. \NAMECITE{induced}{% Chong:2003:SGF,% Cruz-Monteagudo:2008:CCA,% Elking:2007:GID,% Heine:2007:CIM,% Hudaky:2004:SMI,% Komeiji:2007:CPE,% Li:2009:CTP,% Liang:2008:PDD,% Ma:2000:MPI,% Piacenza:2008:TEE,% Rocchia:2002:RGB,% Stanger:2001:SIB,% Zanuy:2003:TIP% }. \NAMECITE{Induction}{% Holt:2008:ICM,% Holt:2008:IIC,% Zhou:2006:CSG% }. \NAMECITE{Inductive}{% Bohm:2007:IER% }. \NAMECITE{inelastic}{% Borras-Almenar:2001:SNU% }. \NAMECITE{inexact}{% Harrison:2004:KSA% }. \NAMECITE{inexpensive}{% Kaminski:2003:CIM% }. \NAMECITE{infinite}{% Delgado:2001:PID% }. \NAMECITE{Influence}{% Gil:2009:IIC,% Jagielska:2007:ITF,% Jug:2008:IID,% Leon:2002:IPS,% Brookes:2009:IPL,% Strassner:2002:MPF,% Sunoj:2001:CID,% Djurdjevic:2006:IPF,% Evarestov:2009:AEL% }. \NAMECITE{Information}{% Hamacher:2007:ITM,% Gatti:2003:CIS,% Hnizdo:2008:ECC,% Hudaky:2005:TDD,% Neihsial:2008:NHB% }. \NAMECITE{information-bearing}{% Neihsial:2008:NHB% }. \NAMECITE{infrared}{% Chelli:2008:RSD,% Klein:2003:HBD,% Liu:2009:TDD,% Melendez:2000:IDI,% Tye:2006:CBC,% Zerara:2008:PCP% }. \NAMECITE{Inherent}{% Barash:2003:ISL% }. \NAMECITE{inhibition}{% Pereira:2004:TSR,% Wu:2008:QMS% }. \NAMECITE{Inhibitor}{% Vilar:2007:IDS,% Bras:2008:MSF,% Cho:2005:MDH,% Fiorentino:2006:SVD,% Masella:2008:CPF,% Suresh:2008:RSW% }. \NAMECITE{inhibitors}{% Abrahao-Junior:2001:CAH,% Antony:2002:BDC,% Antony:2005:CTC,% Arenas:2009:PAB,% Li:2008:QSM,% Liu:2005:SCP,% Page:2006:CMP,% Roux:2007:BPD,% VanDamme:2009:CDP,% Vilar:2007:IDS,% Wan:2004:QSA,% Wittayanarakul:2008:APP,% Zhou:2009:CAC% }. \NAMECITE{inhibitory}{% Daga:2008:SPS% }. \NAMECITE{inhomogeneous}{% Mor:2008:SPI% }. \NAMECITE{initial}{% Martinez:2003:POA,% Martinez:2009:PPB,% Quapp:2007:FTS,% Umanskii:2001:TKI% }. \NAMECITE{initialization}{% Fisher:2008:OIA% }. \NAMECITE{initiated}{% Ramirez-Anguita:2009:FPDb% }. \NAMECITE{initiation}{% Gonzalez-Garcia:2005:ESS% }. \NAMECITE{initio}{% Alfonso:2003:FNE,% Amatatsu:2002:ISE,% Amatatsu:2002:ISP,% Anonymous:2006:EMC,% Arulmozhiraja:2001:BRI,% Babu:2003:IQO,% Baker:2000:HIS,% Barbe:2008:IDF,% Bento:2005:IDB,% Betancourt:2001:FNH,% Bil:2006:HRH,% Bobrowski:2002:ISM,% Borodin:2001:IQC,% Burda:2005:HPA,% Carballeira:2000:IIG,% Ceccarelli:2003:IFF,% Chandra:2000:KHA,% Chandra:2001:ROR,% Chandra:2003:ISS,% Chao:2009:MDS,% Chen:2002:CIS,% Cheng:2009:SSC,% Cramariuc:2009:IDP,% DeJong:2005:OAE,% Deng:2009:NHC,% Devereux:2009:TIF,% Djurdjevic:2006:IPF,% Drablos:2000:ISC,% Exner:2003:IQP,% Fattebert:2002:DFT,% Ferre:2002:SFF,% Frison:2008:CSS,% Fuchs:2006:NMP,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Futera:2009:IPS,% Ganesh:2008:WWI,% Gonzalez:2006:PCM,% Gould:2007:CIQ,% Greatbanks:2000:CEP,% Gresh:2004:IIE,% Gresh:2005:RZI,% Grybos:2009:INM,% Hafner:2008:ISM,% Hegemann:2008:ASC,% Helal:2002:ICS,% Helal:2009:IMS,% Hemmateenejad:2004:AIT,% Hemmateenejad:2006:APB,% Herzog:2006:EBP,% Hiberty:2007:SRD,% Hofer:2004:CDR,% Hofer:2005:SBE,% Hong:2000:CED,% Hudaky:2001:PMX,% Intharathep:2005:SDH,% Intharathep:2006:IQM,% Jacquemin:2002:IAD,% Jung:2004:CMF,% Jurecka:2007:DFT,% Kaminski:2002:DPF,% Karamertzanis:2005:ICS,% Katagiri:2008:IPS,% Kavathekar:2009:WWI,% Klein:2002:ICS,% Klepeis:2002:IPH,% Komeiji:2007:CPE,% Kong:2000:QCH,% Kritayakornupong:2004:SDC,% Kritayakornupong:2008:JTE,% Kritayakornupong:2009:SDP,% Le:2001:ISC,% Lee:2004:IDS,% Lee:2007:DIC,% Lee:2009:CIF,% Levi:2008:FVF,% Li:2003:ISI,% Li:2007:SEP,% Linnanto:2004:SPM,% Liu:2002:CRI,% Liu:2008:SOI,% Lu:2007:SSH,% Lu:2009:ICH,% Luo:2009:AES,% Maroulis:2003:IDE,% Masamura:2001:IMOa,% Masamura:2001:IMOb,% Matsubara:2008:IEE,% Melendez:2000:IDI,% Min:2008:CBS,% Mishra:2002:ITS,% Mitchell:2000:MSP,% Miura:2009:ITT,% Mo:2000:IQM,% Mok:2001:ICS,% Momany:2000:CSC% }. \NAMECITE{initio}{% Morita:2001:INI,% Morita:2002:WPC,% Moskaleva:2000:UID,% Muino:2005:OCR,% Nakamura:2009:RKD,% Ohta:2004:IBC,% Ohtsuka:2001:ETT,% Oncak:2008:ESP,% Otsuka:2007:WTA,% Ozawa:2008:CHB,% Palfi:2008:HSC,% Peiro-Garcia:2003:ISM,% Peiro-Garcia:2003:TIS,% Pribil:2008:SDP,% Rahal-Sekkal:2003:SED,% Reddy:2007:IQM,% Rodriguez-Ropero:2008:ICS,% Rogalewicz:2000:INZ,% Rosso:2008:ICS,% Sauer:2000:CQM,% Schreiber:2007:SBA,% Schuurman:2005:ILQ,% Seda:2005:SES,% Shalabi:2002:FAF,% Sheng:2004:IDD,% Sherrill:2009:ASF,% Shi:2008:PSI,% Shukla:2000:ISE,% Song:2005:XPI,% Sun:2005:UIF,% Suvire:2006:DFC,% Tafipolsky:2007:IPM,% Tamaoki:2005:STF,% Tang:2001:EIC,% Tang:2001:ICS,% Tiraboschi:2000:PIM,% Tiraboschi:2001:ICZ,% Uchimaru:2003:IIR,% Upadhyay:2003:ISM,% Urata:2002:AII,% Vadali:2004:SFG,% Valdes:2002:IDS,% Vemparala:2006:ICI,% Walker:2007:CBS,% Wang:2004:DID,% Wang:2007:IDD,% Wennmohs:2005:DMM,% Wladkowski:2003:HCP,% Wu:2002:DID,% Wu:2003:ISP,% Wu:2005:TSN,% Xiao:2002:DID,% Yang:2007:FEP,% Zamora:2008:RIC,% Zhang:2004:DLI,% Zhang:2006:ISI,% Zheng:2009:ITS,% Zhu:2006:IPE,% Zhu:2008:ISE,% Zicovich-Wilson:2008:ISI,% Zou:2009:CIC,% vanDroogenbroeck:2004:SMI,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb,% Crawford:2007:POS,% Munoz:2004:PEB,% Salek:2007:SCP,% Talarico:2000:ECI% }. \NAMECITE{inner}{% Pogliani:2003:CGC% }. \NAMECITE{inner-core}{% Pogliani:2003:CGC% }. \NAMECITE{inorganic}{% Cuny:2008:DCQ,% Shi:2003:ESF% }. \NAMECITE{inserted}{% Barbe:2008:IDF% }. \NAMECITE{Insertion}{% Zhou:2008:ICS,% Rocha:2000:CIR,% Talarico:2000:ECI% }. \NAMECITE{insight}{% Matsubara:2008:IEE% }. \NAMECITE{Insights}{% Barman:2009:IMM,% Poulain:2008:IPD,% Sgrignani:2009:IDS,% Manojkumar:2005:TIM,% Polo:2007:NIB,% Schulz-Gasch:2003:MIO% }. \NAMECITE{instabilities}{% Dehareng:2000:HFI,% vanWullen:2006:NIC% }. \NAMECITE{instability}{% Lee:2007:CSM% }. \NAMECITE{instead}{% Labute:2008:GBV% }. \NAMECITE{insulator}{% Roy:2008:DMI% }. \NAMECITE{insulin}{% Inaba:2005:AED,% Kosmopoulou:2006:CEL,% Zoete:2006:IIS% }. \NAMECITE{insulin-{B}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{Integral}{% Jacquemin:2002:IAD,% Bushenkov:2000:AIE,% Bushenkov:2001:AIE,% Cai:2009:NIL,% Chen:2009:PIM,% Chuev:2004:WAS,% Duret:2008:SEI,% Gao:2008:CQM,% Jezierska:2009:IOH,% Kenny:2008:CIE,% Labute:2008:GBV,% Mitin:2003:PSI,% Storchi:2009:IUD,% Umeda:2004:IPP,% Vyazovkin:2001:MII,% Yasuda:2008:TEI,% Pernpointner:2000:PFC% }. \NAMECITE{integral-driven}{% Storchi:2009:IUD% }. \NAMECITE{integrals}{% Anikin:2003:LBO,% Flocke:2008:EEI,% Flores-Moreno:2006:HNE,% Fossgaard:2006:SSM,% Gill:2000:RET,% Ishida:2003:MIG,% Laikov:2007:NFA,% Rico:2004:EAC% }. \NAMECITE{integrands}{% Gill:2003:RQM% }. \NAMECITE{integrate}{% Malcolm:2003:ADI% }. \NAMECITE{Integrated}{% Banks:2005:IMP,% Hopkins:2003:MAI,% Liu:2008:RIT,% Morita:2001:INI,% Volkov:2009:BSD,% Vreven:2000:AII% }. \NAMECITE{integration}{% Biegler-Konig:2000:CAI,% Blondel:2004:EVF,% Chen:2009:MCI,% El-Sherbiny:2004:ERP,% Horenko:2003:AIM,% Jacquemin:2002:IAD,% Kenny:2004:CBI,% Li:2003:CMV,% Pomelli:2004:TIG,% Rafat:2007:VIQ,% Shyu:2009:RBU% }. \NAMECITE{integrations}{% Pendas:2005:TEI% }. \NAMECITE{integrator}{% Chocholousova:2006:BAR,% Kawata:2000:CEC,% Queyroy:2009:NEE% }. 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Vila:2007:AMI% }. \NAMECITE{intersection}{% Smellie:2003:CAI% }. \NAMECITE{intersections}{% Izzo:2000:OCI% }. \NAMECITE{interval}{% Lin:2005:DGO% }. \NAMECITE{interwall}{% Zhou:2008:ICS% }. \NAMECITE{Intra}{% Ferenczy:2001:III,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Matamala:2007:SAI% }. \NAMECITE{Intra-}{% Ferenczy:2001:III,% Fukuzawa:2006:III,% Fukuzawa:2007:III% }. \NAMECITE{intra-phycocyanin}{% Matamala:2007:SAI% }. \NAMECITE{Intramolecular}{% Gresh:2004:IIE,% Howard:2004:ICH,% Pacios:2001:III,% Tiraboschi:2001:ICZ,% Alagona:2003:IMS,% Balata:2003:SEG,% Balata:2004:ESE,% Fores:2000:TCI,% Hermida-Ramon:2003:IIP,% Holt:2008:IIC,% Li:2001:ETB,% Nguyen:2005:CEI,% Ren:2002:CTI,% Sims:2005:RCD,% Valdes:2008:EIB,% Vemparala:2006:ICI,% Zhan:2005:FPS,% Zhang:2009:EIM,% Zhao:2008:TDD,% Klein:2002:ICS% }. \NAMECITE{Intraprotein}{% Molina:2003:IED% }. \NAMECITE{intraresidue}{% Improta:2004:ARD% }. \NAMECITE{intrinsic}{% Jagielska:2007:OIH,% Jug:2008:IID,% Yang:2005:MAO% }. 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Moskaleva:2000:UID,% Quapp:2007:FTS% }. \NAMECITE{isomerization/decomposition}{% Moskaleva:2000:UID% }. \NAMECITE{Isomers}{% Beran:2003:ICE,% Chavez:2004:ICE,% Greene:2002:ICE,% Cuesta:2006:SMN,% Cui:2008:SSE,% Helal:2002:ICS,% Kan:2007:TIP,% Kan:2009:TPR,% Lai:2008:TCH,% Luo:2009:AES,% Saunders:2004:SSI,% Zhang:2006:ISI,% Zhou:2008:ICS% }. \NAMECITE{isomorphic}{% Cuadrado:2007:QMB% }. \NAMECITE{{isoprene}}{% Dibble:2005:CXT% }. \NAMECITE{{isoprene-OH-O}}{% Dibble:2005:CXT% }. \NAMECITE{isothermal}{% Shinoda:2003:RBD,% Stern:2004:SAI% }. \NAMECITE{isothermal-isobaric}{% Shinoda:2003:RBD% }. \NAMECITE{isothianaphthene}{% Claes:2004:TSI% }. \NAMECITE{isotope}{% Gao:2008:CQM,% Wu:2002:DID,% Goncalves:2004:NAH% }. \NAMECITE{isotopologues}{% Levi:2008:FVF% }. \NAMECITE{isotropic}{% Benzi:2005:BCF% }. \NAMECITE{isozymes}{% Wan:2009:CSC% }. \NAMECITE{issues}{% Mackerell:2004:EFF,% Perczel:2004:SIC% }. \NAMECITE{Iterative}{% Piris:2009:IDO,% Raos:2000:IMF,% Cai:2009:NIL,% Huang:2006:IKBa,% Huang:2006:IKBb% }. \NAMECITE{itinerant}{% Samolyuk:2008:RBC% }. \NAMECITE{IV}{% Arnaud:2003:TSI,% Choe:2005:EAC,% Cuesta:2006:SMN,% Dobrogorskaia-Mereau:2005:QCM,% Fu:2006:CMT,% Langley:2001:MMCc,% Langley:2003:MMM,% Lii:2003:AECc% }. \NAMECITE{J}{% Barone:2001:NJC,% Bofill:2001:RCQ,% Heringer:2012:EAE,% Kneller:2005:CUQ,% Quapp:2001:CQR,% VanMourik:2008:CAB% }. \NAMECITE{{Jacobi}}{% Ivanic:2003:MMG% }. \NAMECITE{{Jacobians}}{% Sklenar:2006:UIC% }. \NAMECITE{{Jahn}}{% Kritayakornupong:2008:JTE,% Venkatesan:2006:JTP% }. \NAMECITE{{Jason}}{% Wagoner:2004:EJW% }. \NAMECITE{Jersey}{% Bickelhaupt:2009:BRB% }. \NAMECITE{Jicun}{% Jorgensen:2012:LEC% }. \NAMECITE{jk}{% Sapre:2008:CMT% }. \NAMECITE{{JNK3}}{% Kolossvary:2001:HFL% }. \NAMECITE{John}{% Anonymous:2004:PNSa,% Bickelhaupt:2009:BRB,% Lipkowitz:2000:BRB% }. \NAMECITE{Joint}{% Rychkov:2007:JNA,% Darowicki:2006:JTF,% Polo:2005:JSB% }. \NAMECITE{{Jones}}{% Chen:2002:CIS,% Freindorf:2005:LJP,% Pullan:2005:UPB,% Shao:2004:DLS,% Shao:2008:DLS,% Yang:2007:DLS% }. \NAMECITE{Journal}{% Anonymous:2005:EDS,% Anonymous:2006:EFS,% Anonymous:2006:EMC,% Anonymous:2006:EZX,% Wagoner:2004:EJW,% Wang:2005:EJW,% Anonymous:2001:NSJ,% Anonymous:2004:PNSb% }. \NAMECITE{journey}{% Poater:2009:MSP% }. \NAMECITE{jun}{% Kolossvary:2001:HFL% }. \NAMECITE{junction}{% Dardenne:2001:RFU% }. \NAMECITE{{Junmei}}{% Wang:2005:EJW% }. \NAMECITE{{K151}}{% Nakamura:2009:RKD% }. \NAMECITE{Kenny}{% Stanton:2000:BRB% }. \NAMECITE{{Kepert}}{% Razumov:2001:MMC% }. \NAMECITE{kernel}{% Bushenkov:2000:AIE,% Bushenkov:2001:AIE,% Donckels:2009:KBM,% Torrent-Sucarrat:2007:QHK,% Torrent-Sucarrat:2008:HKB% }. \NAMECITE{kernel-based}{% Donckels:2009:KBM% }. \NAMECITE{ketene}{% Milet:2006:RNS% }. \NAMECITE{ketones}{% Langley:2001:MMCa% }. \NAMECITE{key}{% Hardin:2002:FFK% }. \NAMECITE{{Kick}}{% Addicoat:2009:KCS% }. \NAMECITE{{Kier}}{% Sapre:2008:CMT% }. \NAMECITE{{Kier-Hall}}{% Sapre:2008:CMT% }. \NAMECITE{kinase}{% Fiaty:2004:ADA,% Fiaty:2005:SAT,% Gonzalez-diaz:2007:CCA,% Huang:2005:IHM,% Huang:2009:CSP,% Kolossvary:2001:HFL,% Page:2006:CMP,% Sims:2005:RCD% }. \NAMECITE{kinase-channel-phosphatase}{% Fiaty:2005:SAT% }. \NAMECITE{kinase-specific}{% Huang:2005:IHM% }. \NAMECITE{kinases}{% Sims:2004:COI% }. \NAMECITE{kind}{% Li:2007:QCS% }. \NAMECITE{kinematic}{% Coutsias:2004:KVL% }. \NAMECITE{kinematics}{% Cahill:2003:KPF,% LaValle:2000:RKB,% Milgram:2008:SIK% }. \NAMECITE{kinematics-based}{% LaValle:2000:RKB% }. \NAMECITE{Kinetic}{% Ji:2007:KMH,% Bieniasz:2004:IAS,% Burda:2005:HPA,% Gao:2008:CQM,% Jacobsen:2009:CBV,% Kristyan:2009:IPT,% Wu:2002:DID% }. \NAMECITE{Kinetics}{% Chandra:2000:KHA,% Szabelski:2004:KEM,% Gogtas:2008:TDQ,% Horenko:2005:AAN,% Ma:2006:LBK,% Novoselov:2002:CST,% Robertson:2008:ELR,% Umanskii:2001:TKI,% Vasilkoski:2000:GPF,% Vasilkoski:2004:DCM% }. \NAMECITE{kinking}{% Bosch:2003:BPM% }. \NAMECITE{{Kirchhoff}}{% Yakovenko:2008:KAC% }. \NAMECITE{{Kirkwood}}{% Kang:2006:KBD% }. \NAMECITE{{Kirkwood-Buff}}{% 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Hudaky:2001:PMX% }. \NAMECITE{{L}-valinamide}{% Hudaky:2001:PMX% }. \NAMECITE{{La/SSB}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{label}{% VanZele:2001:VNS% }. \NAMECITE{labeling}{% Sarma:2000:LSY% }. \NAMECITE{lactamase}{% Antony:2002:BDC,% Antony:2005:CTC,% Suarez:2002:MDS% }. \NAMECITE{lactamases}{% Estiu:2006:QMM,% Massova:2002:PKM% }. \NAMECITE{{LADH}}{% Du:2005:HML% }. \NAMECITE{{LaN}}{% Voloshina:2008:CPC% }. \NAMECITE{{Lanczos}}{% Murga:2001:NAC% }. \NAMECITE{{Landau}}{% Ghulghazaryan:2007:ECW% }. \NAMECITE{landscape}{% Ikeda:2003:HHI,% Periole:2009:PFE,% Scheraga:2002:EPB% }. \NAMECITE{landscapes}{% Ono:2002:CFF,% Swart:2007:ELN% }. \NAMECITE{{Langmuir}}{% Bushenkov:2000:AIE% }. \NAMECITE{lanthanide}{% Adamo:2000:SPL,% Freire:2005:MLC,% Razumov:2001:MMC,% Sekiya:2006:RCB,% Vetere:2003:CSQ% }. \NAMECITE{lanthanides}{% Rabone:2006:IPM% }. \NAMECITE{{Lanthanum}}{% Adamo:2000:SPL% }. \NAMECITE{Large}{% Wan:2004:LSM,% Agrafiotis:2001:MSV,% Andrushchenko:2008:CDE,% Ayala:2000:ECL,% 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Masella:2008:CPF,% Robertson:2008:ELR,% Sandak:2001:MFS,% VandeStreek:2002:IEC% }. \NAMECITE{long-duration}{% Chiu:2000:CMA% }. \NAMECITE{long-range}{% Cordomi:2007:EDT,% Grimme:2006:SGT,% Kerber:2008:ASL,% Mark:2002:SDL,% Robertson:2008:ELR,% Sandak:2001:MFS% }. \NAMECITE{long-time}{% Chun:2000:MDM% }. \NAMECITE{lookup}{% Nilsson:2009:ETL% }. \NAMECITE{loop}{% Coutsias:2004:KVL,% Kolossvary:2001:HFL,% Mak:2008:RCS,% Olson:2008:PPL,% Porta:2007:CMM,% Porta:2008:CMM,% Tappura:2000:NSC% }. \NAMECITE{loops}{% Cortes:2004:GAC% }. \NAMECITE{{LoProp}}{% Soderhjelm:2007:ADM% }. \NAMECITE{Low}{% Darkhovskii:2003:LHS,% Ma:2006:LBK,% Alhambra:2000:HBI,% Bindewald:2005:SFD,% Goncalves:2003:FES,% Kloppmann:2007:EDE,% Kolossvary:2001:HFL,% Kuznetsova:2001:VAP,% Li:2003:HDM,% Liang:2008:PDD,% Liu:2008:ETS,% Perczel:2003:PMX,% Pitarch-Ruiz:2008:FCI,% Raos:2000:IMF,% Shalabi:2002:FAF,% Wojciechowski:2002:DSL,% Zou:2005:ETS,% Zou:2007:TSL,% Zou:2009:CIC,% deSouza:2009:CMC,% Brylinski:2008:QDL% }. \NAMECITE{Low-}{% Darkhovskii:2003:LHS% }. \NAMECITE{low-energy}{% Raos:2000:IMF% }. \NAMECITE{low-level}{% Perczel:2003:PMX% }. \NAMECITE{low-lying}{% Liu:2008:ETS,% Zou:2005:ETS,% Zou:2007:TSL,% Zou:2009:CIC,% deSouza:2009:CMC% }. \NAMECITE{low-mode}{% Kolossvary:2001:HFL% }. \NAMECITE{low-resolution}{% Bindewald:2005:SFD,% Wojciechowski:2002:DSL,% Brylinski:2008:QDL% }. \NAMECITE{lowest}{% Fores:2000:TCI,% Oliva:2006:CSL,% Xie:2004:HBS,% Zeng:2004:HBS% }. \NAMECITE{lowest-lying}{% Fores:2000:TCI% }. \NAMECITE{{lp}}{% Li:2003:HDM% }. \NAMECITE{{lp-RS-HDMR}}{% Li:2003:HDM% }. \NAMECITE{{LR}}{% Zhou:2009:CAC,% Noro:2007:RCB% }. \NAMECITE{{LR-MMPBSA}}{% Zhou:2009:CAC% }. \NAMECITE{{LSCF}}{% Ferre:2002:SFF% }. \NAMECITE{{Lu}}{% Sekiya:2006:RCB% }. \NAMECITE{lumiflavin}{% Choe:2007:TSE% }. \NAMECITE{LUMMOX}{% Motoki:2004:NRS% }. \NAMECITE{lutetium}{% Adamo:2000:SPL% }. \NAMECITE{lyase}{% Prabhakar:2005:CSV,% Condic-Jurkic:2008:MAB% }. \NAMECITE{lying}{% Fores:2000:TCI,% Liu:2008:ETS,% Pitarch-Ruiz:2008:FCI,% Zou:2005:ETS,% Zou:2007:TSL,% Zou:2009:CIC,% deSouza:2009:CMC% }. \NAMECITE{{LYP}}{% Poater:2001:PBL% }. \NAMECITE{{Lysine}}{% Davis:2008:MMP% }. \NAMECITE{lysozyme}{% Higo:2002:HSH% }. \NAMECITE{M}{% Bofill:2001:RCQ,% Gourlaouen:2006:RGM,% Jenkins:2000:BSC,% Liu:2008:TSS,% Oncak:2008:ESP,% Quapp:2001:CQR,% Wang:2005:EJW,% Jenkins:2000:BSC,% Li:2006:TMB,% Oncak:2008:ESP% }. \NAMECITE{machine}{% Chang:2009:ISV,% Hu:2008:USV,% Lin:2007:SVM,% Yang:2009:PAC% }. \NAMECITE{machines}{% Cai:2002:SVM,% Qiu:2009:USV,% Yuan:2004:SSV% }. \NAMECITE{macro}{% Wouters:2000:UTD% }. \NAMECITE{macrocycle}{% Rodriguez-Ropero:2008:MDC% }. \NAMECITE{macrocycles}{% Ferro:2007:MES% }. \NAMECITE{Macrocyclic}{% Soto-Castro:2004:MVD,% Kahn:2002:POA% }. \NAMECITE{macromolecular}{% Aragon:2004:PBE,% Constans:2002:LSA,% Echenique:2006:DSA,% Foloppe:2000:AAE,% Jaqaman:2002:NSW,% Kedzierski:2001:ATA,% Khandogin:2000:ESP,% Rychkov:2007:JNA,% Zhang:2003:CIS% }. \NAMECITE{macromolecule}{% 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\NAMECITE{{{MAGPACK}}}{% Borras-Almenar:2001:SNU% }. \NAMECITE{main}{% Dinner:2000:LDP,% Jug:2000:MPT,% Landis:2007:VEV% }. \NAMECITE{main-chain}{% Dinner:2000:LDP% }. \NAMECITE{maingroup}{% Swart:2006:PAM% }. \NAMECITE{maingroup-element}{% Swart:2006:PAM% }. \NAMECITE{Maintaining}{% Leaver-Fay:2007:MSA% }. \NAMECITE{maleimide}{% Remmert:2009:EAC% }. \NAMECITE{malonyl}{% Li:2008:QSM% }. \NAMECITE{malonyl-{CoA}}{% Li:2008:QSM% }. \NAMECITE{maltose}{% Momany:2000:CSC% }. \NAMECITE{maltotriose}{% Schnupf:2008:DCS% }. \NAMECITE{Manager}{% Feldmann:2008:MWB% }. \NAMECITE{manganese}{% Arnaud:2003:TSI,% Camacho:2009:ISM,% Galstyan:2009:ARP,% Loffler:2006:WED,% Lundberg:2005:ABE,% Rulisek:2006:RMI% }. \NAMECITE{Many}{% Loeffler:2003:MBE,% Bessac:2008:DMR,% Tew:2007:ECM,% Yokojima:2003:DMF,% Loeffler:2003:EMB% }. \NAMECITE{Many-body}{% Loeffler:2003:MBE,% Tew:2007:ECM,% Loeffler:2003:EMB% }. \NAMECITE{many-electron}{% Yokojima:2003:DMF% }. \NAMECITE{map}{% Milgram:2008:SIK,% Sayano:2000:MMC,% Hong:2009:ROP% }. \NAMECITE{mapping}{% Frickenhaus:2009:EES,% Rassokhin:2001:NMM% }. \NAMECITE{maps}{% Porta:2007:CMM,% Porta:2008:CMM,% Tran:2001:CATb,% Wang:2004:SEA% }. \NAMECITE{Marchi}{% Anonymous:2006:EMC% }. \NAMECITE{{Marcus}}{% Blomgren:2001:ETB% }. \NAMECITE{{Markov}}{% Brown:2003:CWN,% Concu:2009:CCS,% Cruz-Monteagudo:2007:CCD,% Dai:2006:NCD,% Fischer:2007:IBC,% Huang:2005:IHM,% Sakuraba:2009:MMT% }. \NAMECITE{{Markovian}}{% Yokojima:2003:DMF% }. \NAMECITE{mass}{% Goncalves:2004:NAH,% Goraczko:2001:MMF,% Kong:2005:MNS,% Lee:2006:ABS,% Zheng:2009:ITS% }. \NAMECITE{masses}{% Carlsson:2003:IPE% }. \NAMECITE{Massimo}{% Anonymous:2006:EMC% }. \NAMECITE{Massive}{% Thormann:2001:MDF,% Rassokhin:2001:NMM% }. \NAMECITE{massively}{% Davies:2002:PRM% }. \NAMECITE{master}{% Fossgaard:2006:SSM,% Frankcombe:2000:SUM% }. \NAMECITE{master-slave}{% Fossgaard:2006:SSM% }. \NAMECITE{matching}{% Spiegel:2008:PAB,% Vaiana:2003:MMF% }. \NAMECITE{Material}{% Jorgensen:2012:LEC,% Song:2009:ETS% }. \NAMECITE{materials}{% Barone:2009:RET,% Hafner:2008:ISM,% Li:2002:MMG,% Lopez-Martinez:2009:TSE,% Tielens:2009:ERF,% Xu:2008:USS,% Yoon:2009:MMM% }. \NAMECITE{mathematical}{% Donckels:2009:KBM% }. \NAMECITE{Matrices}{% Leininger:2001:SSS,% Ahlrichs:2002:ELA,% Bofill:2000:AED,% Curco:2003:EFS% }. \NAMECITE{matrix}{% Custodio:2006:ASC,% Ellzey:2007:FGT,% Ghulghazaryan:2007:ECW,% Inaba:2007:DPD,% Jacquemin:2002:IAD,% Li:2001:ETB,% Nakamura:2002:NMP,% Neese:2003:IRI,% Rubensson:2005:SSM,% Rubensson:2007:HSM,% Rubensson:2009:TSM,% Sakuraba:2009:MMT,% Saravanan:2003:SMM,% Takashima:2002:NPA,% Umeda:2009:PFM,% Yang:2003:NTI,% vanDroogenbroeck:2004:SMI,% vanWullen:2006:NIC% }. \NAMECITE{{Matteo}}{% Anonymous:2006:EMC% }. \NAMECITE{matter}{% Alves-Santos:2006:ASD% }. \NAMECITE{maxima}{% Matsuura:2006:AEA% }. \NAMECITE{Maximal}{% Gallegos:2005:MPD% }. \NAMECITE{maximization}{% Buenker:2002:UEM% }. \NAMECITE{maximizing}{% Alabugin:2007:RGM% }. \NAMECITE{Maximum}{% Meller:2002:MFG,% Scemama:2007:MPD,% He:2008:SSL% }. \NAMECITE{{MBO}}{% Chun:2000:MDM% }. \NAMECITE{{MC}}{% Hu:2006:MCS,% Martineau:2004:BFD% }. \NAMECITE{{MCCE2}}{% Song:2009:MIP% }. \NAMECITE{{MCDP}}{% Leon:2001:MAT% }. \NAMECITE{{McLafferty}}{% Norberg:2008:MRR% }. \NAMECITE{{MCM}}{% Nanias:2005:PSP% }. \NAMECITE{{MCPRO}}{% Jorgensen:2005:MMO% }. \NAMECITE{{MCSCF}}{% Ivanic:2003:MMG% }. \NAMECITE{MD}{% Komeiji:2009:FMO,% Matsubara:2008:IEE,% Allen:2009:GMG,% Bringmann:2001:MBC,% Chatfield:2003:MDC,% Hofer:2005:SBE,% Hofinger:2005:SPB,% Pribil:2008:SDP,% Wu:2003:DAG% }. \NAMECITE{{MD}-based}{% Bringmann:2001:MBC% }. \NAMECITE{{MD-GRAPE-2}}{% Hofinger:2005:SPB% }. \NAMECITE{{MDGRAPE}}{% Kikugawa:2009:AMS,% Narumi:2009:CPG% }. \NAMECITE{{MDGRAPE-3}}{% Kikugawa:2009:AMS,% Narumi:2009:CPG% }. \NAMECITE{{{MDSimAid}}}{% Crocker:2005:MAP% }. \NAMECITE{mean}{% Galvan:2004:NML,% Hnizdo:2003:STI,% Lee:2009:BHR,% Makowska:2005:TCH,% Nobeli:2001:EKB,% Rajamani:2003:IAU,% Yokojima:2003:DMF% }. \NAMECITE{meanfield}{% Kaupp:2002:CET% }. \NAMECITE{meaningful}{% Alonso:2006:PMM,% Budzelaar:2007:GOU% }. \NAMECITE{means}{% Bachler:2005:BTM,% Bieniasz:2004:IAS,% Bruni:2002:CAN,% Karafiloglou:2006:CDS,% Kisowska:2008:SCB,% Sanchez:2000:SEM,% Watanabe:2001:CXR,% deOliveira:2001:DHF% }. \NAMECITE{measure}{% Xiao:2006:UPA,% Zou:2009:HPQ,% Pinsky:2008:AMC% }. \NAMECITE{measurement}{% Ytreberg:2004:EUN% }. \NAMECITE{measurements}{% Kover:2009:CNT% }. \NAMECITE{measures}{% Bubel:2000:MMB,% Dai:2008:USM,% Hamacher:2007:ITM,% Leherte:2006:SMB,% Pinsky:2003:SAE,% Pinsky:2008:SOM,% Pinsky:2008:AMC% }. \NAMECITE{mechanical}{% Arnaud:2000:QMS,% Benzi:2002:QMS,% Cacelli:2009:FFM,% Cho:2005:IAC,% Cieplak:2001:MMM,% Curutchet:2006:DRC,% Duan:2003:PCF,% Echenique:2006:QMC,% Estiu:2006:QMM,% Ewig:2001:DCI,% Fatmi:2007:QMC,% Ferenczy:2001:III,% Field:2000:DLM,% Fukuzawa:2005:IQM,% Galano:2001:OHA,% Greatbanks:2000:CEP,% Jongejan:2001:DHT,% Kuhn:2004:PPS,% Malcolm:2003:ADI,% Mercero:2000:QMC,% Saunders:2004:SSI,% Titmuss:2002:CLS,% Vchirawongkwin:2007:QMM,% Vchirawongkwin:2007:TSS,% Xiang:2004:FQM,% Xiong:2008:DSP,% Yoon:2009:MMM,% Zhang:2003:MCF,% Zheng:2007:CSS% }. \NAMECITE{mechanical/molecular}{% Cho:2005:IAC,% Ferenczy:2001:III,% Titmuss:2002:CLS,% Vchirawongkwin:2007:QMM,% Vchirawongkwin:2007:TSS,% Xiong:2008:DSP,% Zheng:2007:CSS% }. \NAMECITE{mechanics}{% Aleksandrov:2006:TMC,% Aleksandrov:2009:MMM,% Allinger:2000:VWE,% Anderson:2006:MSR,% Antony:2002:BDC,% Antony:2005:CTC,% Bubel:2000:MMB,% Chen:2007:MMM,% Comba:2002:NMM,% Cournia:2005:MMF,% Darkhovskii:2003:LHS,% Deeth:2005:DIL,% Duan:2003:PCF,% Echenique:2006:EFE,% Fogolari:2001:MMD,% Grazioso:2008:ANA,% Gresh:2004:CDI,% Gresh:2004:IIE,% Gresh:2005:RZI,% Harvey:2003:MNA,% Jurecka:2007:DFT,% Kirschner:2003:MMF,% Koca:2003:CNZ,% Lamprecht:2000:MMF,% Langley:2001:MMCa,% Langley:2001:MMCb,% Langley:2001:MMCc,% Langley:2001:MMM,% Langley:2003:MMM,% Liang:2000:MMM,% Ma:2000:MPI,% Mackerell:2004:ETB,% Murphy:2000:MQM,% Okur:2003:UPC,% Park:2005:NSM,% Petridis:2009:MMF,% Piquemal:2003:ILF,% Piquemal:2004:EIL,% Razumov:2001:MMC,% Reddy:2007:IQM,% Ren:2002:CTI,% Rogalewicz:2000:INZ,% Rousseau:2000:AEC,% Roux:2007:BPD,% Sauer:2000:CQM,% Song:2008:MMP,% Tiraboschi:2000:PIM,% Tiraboschi:2001:ICZ,% Tokmachev:2005:TPS,% Vaiana:2003:MMF,% Xu:2000:UFS,% Yoshida:2003:MMM,% Zwier:2007:HMD% }. \NAMECITE{mechanics-based}{% Bubel:2000:MMB,% Reddy:2007:IQM% }. \NAMECITE{mechanics/molecular}{% Murphy:2000:MQM% }. \NAMECITE{Mechanism}{% Calaminici:2002:MLF,% Liu:2009:COR,% Pereira:2004:MRR,% Rao:2000:MSH,% Alabugin:2007:RGM,% Alagona:2003:IMS,% Barman:2009:IMM,% Bobrowski:2002:ISM,% Brana:2003:TAM,% Cerqueira:2009:ESS,% Chong:2003:DHA,% DeMarothy:2007:EMR,% Hill:2004:RSP,% Huang:2009:MDS,% Ji:2007:KMH,% Jin:2006:RMC,% Jongejan:2001:DHT,% Lamsabhi:2009:MDP,% Lehnert:2006:ESI,% Li:2001:TSS,% Liu:2002:TSMa,% Liu:2002:TSMb,% Liu:2008:TSS,% Lopez:2007:PDD,% Manojkumar:2005:TIM,% Muino:2005:OCR,% Peiro-Garcia:2003:ISM,% Pereira:2004:TSR,% Prabhakar:2003:CMR,% Prabhakar:2006:DSM,% Qu:2002:TSM,% Qu:2003:DFI,% Rulisek:2006:RMI,% Shukla:2000:ISE,% Tao:2001:TSR,% Wang:2006:GRM,% Wang:2008:DFS,% Wang:2009:RMP,% Wu:2003:ISP,% Wu:2008:TSH,% Yang:2009:TSG,% Zhang:2004:TSM,% Zhang:2004:TSR,% Zhang:2005:TSR,% Zhang:2006:TSM,% Zhao:2007:CDQ,% Zhu:2007:CIS,% Garcia-Viloca:2003:HTC% }. \NAMECITE{mechanism-based}{% Pereira:2004:TSR% }. \NAMECITE{mechanisms}{% Alcaro:2000:QFA,% Alcaro:2007:QFA,% Blomberg:2006:QCA,% Chen:2009:IDR,% Cummins:2005:CMS,% Im:2009:NFE,% Kan:2009:TPR,% Kim:2008:RMD,% Lim:2006:TST,% Massova:2002:PKM,% Norberg:2008:MRR,% Ren:2004:MGL,% Siegbahn:2001:MAM,% Torrent:2002:CSR% }. \NAMECITE{Mechanistic}{% Bras:2008:MSF,% Schulz-Gasch:2003:MIO,% Tsipis:2002:MAD,% Anonymous:2006:EFS,% Studt:2006:TSM,% Wang:2006:TMS,% Xie:2006:RRC,% Zhang:2006:TMS% }. \NAMECITE{media}{% Han:2006:DCM,% Mishra:2002:ITS,% Shukla:2000:ISE% }. \NAMECITE{mediated}{% Hirama:2003:PMH% }. \NAMECITE{medium}{% Fu:2006:CMT,% He:2009:EPS,% Li:2004:CMTa,% Li:2004:CMTb,% Siegert:2007:GDP,% Zhu:2005:CMT% }. \NAMECITE{medium-resolution}{% He:2009:EPS% }. \NAMECITE{medium-sized}{% Siegert:2007:GDP% }. \NAMECITE{melatonin}{% Csontos:2008:EEC% }. \NAMECITE{mellitus}{% Patra:2009:ANN% }. \NAMECITE{Melting}{% Lee:2000:MBI,% Klimov:2002:TUM% }. \NAMECITE{membered}{% Fan:2008:TSF,% Zhang:2009:EIM% }. \NAMECITE{membrane}{% Allen:2009:GMG,% Chen:2009:PIM,% Dyrka:2008:IFT,% Fiaty:2004:ADA,% Gromiha:2004:NNB,% Im:2009:NFE,% Jojart:2007:PGA,% Lorenzo:2003:NIF,% Merzel:2006:NFF% }. \NAMECITE{membranes}{% Ikeguchi:2004:PRB,% Shinoda:2008:EFE,% Wan:2009:CSC% }. \NAMECITE{memoriam}{% Anonymous:2000:MMC% }. \NAMECITE{memories}{% Whitnell:2008:CMV% }. \NAMECITE{memory}{% Takashima:2002:NPA% }. \NAMECITE{mercaptocarboxamides}{% Tiraboschi:2001:ICZ% }. \NAMECITE{mercaptocarboxylate}{% Antony:2005:CTC% }. \NAMECITE{mercaptopyridine}{% Yan:2004:TSS% }. \NAMECITE{mercury}{% Fuchs:2006:NMP% }. \NAMECITE{Merging}{% Perez-Jimenez:2007:MMW% }. \NAMECITE{{Merz}}{% Jirouskova:2009:SNU% }. \NAMECITE{{Merz-Kollman-Singh}}{% Jirouskova:2009:SNU% }. \NAMECITE{mesh}{% Barash:2003:ISL,% Kawata:2000:CEC,% Kholmurodov:2000:SPM% }. \NAMECITE{mesoscale}{% Reith:2003:DEM,% Zhang:2003:CIS% }. \NAMECITE{Mesoscopic}{% Yoon:2009:MMM% }. \NAMECITE{{Met}-enkephalin}{% Zhan:2009:CPN% }. \NAMECITE{meta}{% Dkhissi:2009:CHM,% Imamura:2007:DCE,% Zotti:2008:ABF,% Ganesh:2009:MSC% }. \NAMECITE{meta-di-fluorobenzene}{% Zotti:2008:ABF% }. \NAMECITE{meta-generalized}{% Imamura:2007:DCE% }. \NAMECITE{metabolites}{% Pacios:2009:STB% }. \NAMECITE{metabolizing}{% VanDamme:2009:CDP% }. \NAMECITE{metabotropic}{% Filizola:2001:GPP% }. \NAMECITE{metadynamics}{% Bonomi:2009:REB% }. \NAMECITE{Metal}{% Solomon:2006:MTB,% Addicoat:2008:AVD,% Anonymous:2006:EFS,% Bachler:2005:BTM,% Barman:2009:IMM,% Blomberg:2006:QCA,% Bolshakov:2007:PNB,% Bosque:2000:PSP,% Buenker:2002:UEM,% Chen:2009:CTS,% Chen:2009:EMI,% Cheng:2007:ESC,% Derepas:2002:CWU,% Drablos:2000:ISC,% Frison:2008:CSS,% Fritsch:2008:TMD,% Goh:2001:AFA,% Gresh:2004:CDI,% Han:2004:FPP,% Holthausen:2005:BAD,% Hong:2000:CED,% Iori:2008:IIC,% Jimenez-Halla:2009:TAT,% Jimenez-Halla:2011:ETA,% Johansson:2008:CPM,% Karipidis:2008:DEN,% Kaupp:2002:CET,% Kovalyov:2008:SSP,% Landis:2007:VEV,% Lee:2000:MBI,% Lee:2008:AES,% Li:2006:TMB,% Liao:2002:CSM,% Lin:2009:NHD,% Meyer:2001:DFS,% Neugebauer:2004:VCL,% Ponec:2003:CSA,% Ponec:2008:SBB,% Ruiz:2003:ACE,% Sakharov:2009:FFI,% Schultz:2008:BAD,% Studt:2006:TSM,% Tafipolsky:2007:IPM,% Vchirawongkwin:2007:TSS,% Waller:2007:VCG,% Wang:2008:DSC,% Wu:2006:ESM,% Yanagisawa:2001:IUD,% Zarzycki:2005:RSH,% Zheng:2009:DSC,% Zhu:2008:ISE% }. \NAMECITE{metal-catalyzed}{% Hong:2000:CED% }. \NAMECITE{metal-free}{% Chen:2009:CTS% }. \NAMECITE{metal-organic}{% Tafipolsky:2007:IPM% }. \NAMECITE{metal-porphyrins}{% Liao:2002:CSM% }. \NAMECITE{metal-rich}{% Lee:2008:AES% }. \NAMECITE{metallic}{% Alemany:2008:RCE,% Kim:2001:DFT,% Kim:2002:EDF,% Seo:2008:NSC,% Wang:2005:RBA,% Wang:2009:NBT,% deViterbo:2001:ANN% }. \NAMECITE{metallo}{% Antony:2002:BDC,% Antony:2005:CTC% }. \NAMECITE{metallo-}{% Antony:2002:BDC,% Antony:2005:CTC% }. \NAMECITE{metalloenzyme}{% Brothers:2004:PCZ% }. \NAMECITE{metalloenzymes}{% Siegbahn:2001:MAM% }. \NAMECITE{metallofullerene}{% Cui:2008:SSE,% Kim:2007:CVM% }. \NAMECITE{metallofullerenes}{% Kobayashi:2001:TSE% }. \NAMECITE{metalloproteins}{% Cho:2009:EQM,% Sinnecker:2006:QMC% }. \NAMECITE{metals}{% Baker:2003:AOO,% Bredow:2001:MPT,% Chen:2009:CTS,% Launay:2005:TSS,% Lovallo:2003:DNP,% Lovallo:2004:IMC,% Wang:2005:RBA% }. \NAMECITE{metathesis}{% Piacenza:2007:CQC% }. \NAMECITE{Methane}{% Rivalta:2006:MAC,% Chao:2009:MDS,% Ekanayake:2006:ABD,% Ekanayake:2007:MTS,% English:2003:SDP,% Han:2006:DCM,% Herrmann:2006:SSP,% Ida:2002:ESS,% Pykavy:2007:SQC,% Torrent:2002:CSR,% Yang:2009:TSG% }. \NAMECITE{methanediamines}{% Carballeira:2001:RAE% }. \NAMECITE{methanol}{% Cieplak:2001:MMM,% Yu:2006:MDS,% Zhao:2008:TDD,% Zhong:2008:TSP% }. \NAMECITE{methionine}{% Barman:2009:IMM% }. \NAMECITE{Method}{% Karney:2005:MCP,% Murga:2001:NAC,% Yang:2005:MAO,% Akama:2007:IDC,% Almlof:2004:BAP,% Alonso:2006:PMM,% Amisaki:2000:PEE,% Amisaki:2003:DHA,% Anisimov:2009:QQD,% Anonymous:2005:EDS,% Aragon:2004:PBE,% Bailey:2009:MSE,% Baker:2007:PDG,% Begue:2001:DFF,% Bekker:2004:MON,% Berente:2007:CEE,% Bieniasz:2004:IAS,% Bordner:2003:BES,% Boschitsch:2004:HBE,% Bosque:2000:PSP,% Brookes:2009:IPL,% Brown:2003:CWN,% Busa:2009:ETM,% Cai:2009:NIL,% Cassam-Chenai:2006:VMF,% Chandrasekhar:2001:EEC,% Chang:2003:TCA,% Chiu:2008:SEF,% Choi:2001:NPO,% Chun:2000:MDM,% Conte:2007:DEF,% Curco:2004:PSM,% Darkhovskii:2003:LHS,% Darrigan:2003:IFF,% DeSancho:2005:EMA,% Dixon:2005:QUS,% Donckels:2009:KBM,% Elstner:2003:MZB,% Fedorov:2004:NHP,% Fedorov:2006:PCM,% Fedorov:2007:ATB,% Ferenczy:2001:III,% Ferre:2002:SFF,% Frankcombe:2000:SUM,% Freindorf:2005:LJP,% Fuhrmann:2009:NMG,% Fukuzawa:2005:IQM,% Galvan:2004:NML,% Gidofalvi:2009:CDE,% Gregersen:2006:CSI,% Guvench:2004:EAA,% Haiduke:2004:PVG,% Harrison:2004:KSA,% Hasegawa:2007:ESG,% Hayryan:2005:NAM,% Heringer:2007:AES,% Heringer:2012:EAE,% Hirsch:2002:IRM,% Hnizdo:2007:NNN,% Hong:2000:CED,% Ishikawa:2009:TSP,% Ivanic:2003:MMG,% Izzo:2000:OCI,% Jaqaman:2002:NSW,% Jirouskova:2009:SNU,% Kamishima:2001:CSG,% Kang:2009:LAS,% Karafiloglou:2001:MCW,% Katritch:2003:INM,% Kawamura:2004:HAC,% Kawata:2000:CEC,% Kazmierkiewicz:2002:EBR,% Khan:2005:SPM,% Kholmurodov:2000:SPM,% Kim:2008:CNG,% Kolafa:2004:TRA,% Komeiji:2009:FMO,% Konig:2009:UUB,% Korchowiec:2009:ECT,% Kristyan:2001:FAC,% Lee:2004:EHE,% Li:2003:CMV,% Li:2006:RCV,% Li:2007:TSV,% Li:2009:ICB,% Li:2009:NMP,% Liao:2009:BCM,% Liu:2005:SCP,% Ma:2006:MCI,% Makowski:2006:EAE,% Mancera:2004:LPD,% Marechal:2000:TMH,% Marun:2005:FCP,% Matsuura:2006:AEA,% Miyata:2008:CMD,% Mo:2000:IQM,% Morita:2001:INI,% Morita:2008:PCSa% }. \NAMECITE{method}{% Murphy:2000:MQM,% Mutyala:2007:CRB,% Nakamura:2002:NMP,% Nakamura:2006:TPA,% Nemukhin:2003:FEF,% Netzloff:2004:FFD,% Nye:2007:EWT,% Ozkan:2004:CSP,% Partay:2008:NMD,% Petrella:2003:IMN,% Pisani:2008:PLM,% Prabhu:2004:ITS,% Quapp:2007:FTS,% Rajamani:2003:IAU,% Raos:2000:IMF,% Reddy:2007:IQM,% Rico:2004:AMR,% Ruvinsky:2005:NFS,% Sakuraba:2009:MMT,% Sanchez:2000:SEM,% Schmid:2004:CPS,% Shao:2004:DLS,% Shao:2008:DLS,% Shaw:2005:FSM,% Shen:2005:SMF,% Slipchenko:2007:EEE,% Song:2004:PVB,% Storchi:2009:IUD,% Takahashi:2001:HQM,% Tatsumi:2004:HMM,% Tautermann:2003:EMA,% Tomlinson:2003:DIS,% Tsuchimochi:2008:ASS,% Varekova:2006:OPI,% Vizcarra:2008:IPD,% Vreven:2000:AII,% Vyazovkin:2001:MII,% Wada:2005:QCM,% Walker:2008:IFA,% Wang:2003:PEM,% Wei:2007:TIE,% Wells:2000:CSE,% Whitehead:2003:TAE,% Witek:2004:SSV,% Wu:2009:APH,% Xie:2002:TSG,% Yang:2004:DEG,% Yang:2006:SPC,% Yang:2007:DLS,% Yasar:2002:EMS,% Yoshida:2006:NMD,% Yoshizawa:2007:CFD,% Yoshizawa:2009:REC,% Yu:2009:ECS,% Zheng:2002:SSE,% Zhu:2009:NME,% vanderVaart:2000:LSM,% Jakalian:2000:FEG,% Kleinschmidt:2002:SOC,% Seok:2003:MMO% }. \NAMECITE{method-based}{% Komeiji:2009:FMO% }. \NAMECITE{methodological}{% Fores:2000:TCI,% Moreira:2007:CAS% }. \NAMECITE{Methodology}{% Kinoshita:2002:MPA,% Scheraga:2002:EPB% }. \NAMECITE{Methods}{% Leininger:2001:SSS,% Sommer:2001:MRI,% Alfonso:2003:FNE,% Alvarez-Ginarte:2008:APR,% Banerjee:2005:ECA,% Blomgren:2005:EPE,% Casadesus:2004:TES,% Cummins:2005:CMS,% Dallos:2002:DEM,% Danecek:2007:CNS,% Das:2003:PHM,% DelRio:2003:RMR,% Dkhissi:2009:CHM,% Feig:2004:PCG,% Frison:2008:CSS,% Garcia-Hernandez:2002:CSR,% Ghulghazaryan:2007:ECW,% Giese:2008:EAT,% Gillessen:2009:CSF,% Grant:2001:SPF,% Greatbanks:2000:CEP,% Guerra:2004:VDD,% Hnizdo:2008:ECC,% Improta:2004:ARD,% Jung:2004:CMF,% Kieseritzky:2008:IPC,% Kisowska:2008:SCB,% Klein:2002:ICS,% Klein:2003:HBD,% Knight:2009:DFE,% Larin:2007:QSE,% Levi:2008:FVF,% Liao:2003:PAD,% Liao:2006:APD,% Linnolahti:2001:GPB,% Lovallo:2003:DNP,% Lu:2004:IER,% Lu:2009:ICH,% Mark:2002:SDL,% Martin:2005:CDW,% Mitin:2003:PSI,% Mohle:2001:DPP,% Moon:2006:CQC,% Olson:2008:PPL,% Pinsky:2008:AMC,% Pulay:2005:AEA,% Quapp:2004:RPP,% Rahal-Sekkal:2003:SED,% Repasky:2002:PPP,% Reveles:2004:GOD,% Salvador:2006:GEI,% Schlegel:2003:EPE,% Seda:2005:SES,% Sherer:2003:FAM,% Skeel:2002:MGM,% Stepanenko:2008:NTS,% Sun:2007:CSE,% Swart:2007:ELN,% Talarico:2000:ECI,% Titmuss:2002:CLS,% Tubert-Brohman:2004:EPP,% Vetere:2003:CSQ,% Volkov:2004:CEI,% Vreven:2003:GOQ,% Walker:2007:CBS,% Wang:2003:CLD,% Wang:2004:ECL,% Wei:2008:ATM,% Wu:2005:TSN,% Wysokinski:2001:PDD,% Yu:2009:CSR,% Zyubin:2003:PTD,% vanDroogenbroeck:2004:SMI% }. \NAMECITE{methoxycarbonyl}{% Kang:2009:CPM% }. \NAMECITE{Methyl}{% Chatfield:2003:MDC,% Cieplak:2001:MMM,% DelRio:2003:RMR,% Dobrogorskaia-Mereau:2005:QCM,% Harman:2005:CDD,% Ren:2004:MGL,% Wang:2005:RBA,% Wang:2007:TSM,% Wei:2008:ATM,% Wu:2003:DLD,% Wu:2008:QMS,% Zhang:2005:TSR% }. \NAMECITE{methylacetamide}{% Mannfors:2001:PEM% }. \NAMECITE{methylacetylene}{% Zhao:2007:CDQ% }. \NAMECITE{methylamine}{% Levi:2008:FVF% }. \NAMECITE{methylation}{% Ekanayake:2007:MTS,% Hemmateenejad:2008:AQT,% Shien:2009:ISC% }. \NAMECITE{methylene}{% Lopez:2007:PDD% }. \NAMECITE{methylenimine}{% deOliveira:2001:DHF% }. \NAMECITE{methylenimmonium}{% deOliveira:2001:DHF% }. \NAMECITE{methylimidazole}{% Harman:2005:CDD% }. \NAMECITE{methyloxaziridine}{% Zanasi:2007:CDN% }. \NAMECITE{methyloxirane}{% Zanasi:2007:CDN% }. \NAMECITE{methyltransferase}{% Wu:2008:QMS% }. \NAMECITE{MF}{% Du:2008:MFT% }. \NAMECITE{MF-3D-QSAR}{% Du:2008:MFT% }. \NAMECITE{Mg}{% Wang:2009:FPS,% Aleksandrov:2006:TMC,% Larin:2008:CEF,% Seda:2005:SES% }. \NAMECITE{{Mg-porphin}}{% Seda:2005:SES% }. \NAMECITE{{mGluR1}}{% Filizola:2001:GPP% }. \NAMECITE{{MgO}}{% Simpson:2009:MSA% }. \NAMECITE{{MHz}}{% Corzana:2004:HSL% }. \NAMECITE{MICCs}{% Yang:2005:MAO% }. \NAMECITE{micelles}{% Kinoshita:2002:MPA% }. \NAMECITE{{Michael}}{% Anonymous:2000:MMC% }. \NAMECITE{microcanonical}{% Rapallo:2006:AUS% }. \NAMECITE{{Microiterations}}{% Vreven:2003:GOQ% }. \NAMECITE{microscopic}{% Patra:2004:SCF% }. \NAMECITE{microsecond}{% Monticelli:2008:MSM% }. \NAMECITE{microsolvation}{% Upadhyay:2003:ISM% }. \NAMECITE{microwave}{% Zhu:2006:IPE% }. \NAMECITE{middle}{% Rani:2007:ESB% }. \NAMECITE{migration}{% Huang:2009:MDS,% Zhu:2007:CIS% }. \NAMECITE{{MILCH}}{% Bailey:2009:MSE% }. \NAMECITE{mimic}{% Whitten:2006:EFD% }. \NAMECITE{minima}{% Curco:2004:PSM,% Dallos:2002:DEM,% Kairys:2002:EDM,% Xu:2000:UFS% }. \NAMECITE{Minimal}{% Bates:2008:MMS,% Bekker:2004:MON,% Mazur:2001:MDM% }. \NAMECITE{minimization}{% Ebel:2000:GEM,% Ozkan:2004:CSP,% Seno:2006:ATS,% Widjaja:2002:PCS,% vanEijck:2001:ICSa,% Anikin:2003:LBO,% Nanias:2005:PSP% }. \NAMECITE{minimizations}{% deSancho:2008:EMC% }. \NAMECITE{minimized}{% Georgiev:2008:MDE% }. \NAMECITE{Minimum}{% Anderson:2006:MSR,% Alfonso:2003:FNE,% Call:2007:GMS,% Chen:2009:PRW,% Chen:2013:EPR,% Schaefer:2001:EAV% }. \NAMECITE{mining}{% Cheng:2002:CPC,% Kairys:2002:EDM% }. \NAMECITE{minor}{% Bosch:2003:BPM% }. \NAMECITE{misfolded}{% Clarke:2008:TAP,% Wroblewska:2007:CPB% }. \NAMECITE{mispairs}{% Schreiber:2007:SBA% }. \NAMECITE{mixed}{% Ferenczy:2001:III,% Helal:2009:IMS,% Murphy:2000:MQM,% Moon:2006:CQC% }. \NAMECITE{mixed-valence}{% Helal:2009:IMS% }. \NAMECITE{mixing}{% Al-Matar:2004:GEM% }. \NAMECITE{mixture}{% Widjaja:2002:PCS% }. \NAMECITE{mixtures}{% Ferrari:2006:SPS,% Nikitin:2007:NSS,% Yu:2006:MDS% }. \NAMECITE{{MLR}}{% Hemmateenejad:2004:AIT,% Li:2008:QSM% }. \NAMECITE{MM}{% Cho:2005:IAC,% Murphy:2000:MQM,% Altun:2006:SQM,% Cho:2009:EQM,% Cummins:2005:CMS,% Ferre:2002:SFF,% Fornili:2006:SSL,% Freindorf:2005:LJP,% Gao:2008:CQM,% Gohlke:2004:CFE,% Gooding:2000:FPQ,% Hall:2000:AHQ,% Harvey:2006:QMM,% Herrmann:2008:QMV,% Hofer:2005:SBE,% Hori:2003:HQM,% Infante:2004:QMS,% Infante:2006:QMS,% Intharathep:2005:SDH,% Intharathep:2006:IQM,% Kiyota:2009:MQM,% Kritayakornupong:2004:SDC,% Kritayakornupong:2008:JTE,% Kritayakornupong:2009:SDP,% Loferer:2003:QMI,% Marechal:2000:TMH,% Massova:2002:PKM,% Matsuura:2006:AEA,% Mo:2000:IQM,% Molina:2003:IED,% Nemukhin:2003:FEF,% Page:2006:CMP,% Rajamani:2002:CQM,% Sgrignani:2009:IDS,% Sinnecker:2006:QMC,% Spiegel:2008:PAB,% Suresh:2008:RSW,% Takahashi:2001:HQM,% Torras:2008:VAG,% Vreven:2003:GOQ,% Walker:2008:IFA,% Wittayanarakul:2008:APP,% Woodcock:2007:IQC,% Wu:2008:QMS,% Yang:2006:SPC,% Zheng:2009:ITS% }. \NAMECITE{{MM-PB}}{% Gohlke:2004:CFE,% Wittayanarakul:2008:APP% }. \NAMECITE{{MM-PBSA}}{% Page:2006:CMP% }. \NAMECITE{{MM2}}{% Kamishima:2001:CSG% }. \NAMECITE{MM3}{% Allinger:2000:VWE,% Liang:2000:MMM,% Yoshida:2003:MMM,% Fisher:2001:MPB,% Stortz:2005:CPM,% Strassner:2002:MPF,% Tafipolsky:2007:IPM% }. \NAMECITE{MM3/MM4}{% Allinger:2000:VWE% }. \NAMECITE{MM4}{% Allinger:2000:VWE,% Chen:2007:MMM,% Langley:2001:MMM,% Langley:2003:MMM,% Allinger:2003:AEC% }. \NAMECITE{{MMPBSA}}{% Zhou:2009:CAC% }. \NAMECITE{{MMVB}}{% Garavelli:2003:SAI% }. \NAMECITE{Mn}{% Arnaud:2003:TSI,% Bu:2000:ODD,% Gonzalez:2006:PCM,% Bu:2000:ODD,% Ponec:2005:CSA% }. \NAMECITE{{MNDO}}{% Davila:2002:AMT,% Repasky:2002:PPP,% Tubert-Brohman:2004:EPP% }. \NAMECITE{{MNDOC}}{% Izzo:2000:OCI% }. \NAMECITE{Mo}{% Li:2009:ICB,% Moskaleva:2000:UID,% DelCarmenMichelini:2004:ETA,% DelCarmenMichelini:2005:ETA,% Lacaze-Dufaure:2001:IMM% }. \NAMECITE{{MO}/statistical}{% Moskaleva:2000:UID% }. \NAMECITE{mobility}{% Heine:2007:CIM% }. \NAMECITE{{MoCalc}}{% Depizzol:2005:MNG% }. \NAMECITE{Modal}{% Elezgaray:2000:MDP% }. \NAMECITE{mode}{% Eom:2007:CGP,% Herrmann:2008:QMV,% Kamiya:2003:ANM,% Kim:2007:CVM,% Kolossvary:2001:HFL,% Smedarchina:2001:DPC,% Tautermann:2003:EMA% }. \NAMECITE{mode-specific}{% Smedarchina:2001:DPC% }. \NAMECITE{Model}{% Csontos:2008:RCA,% Duke:2001:CSO,% Ekanayake:2007:MTS,% VanMourik:2008:CAB,% Andrushchenko:2008:CDE,% Anglada:2001:EQR,% Anglada:2001:QRP,% Anjima:2007:RMC,% Antony:2005:CTC,% Baker:2000:HIS,% Basdevant:2004:SIS,% Basilevsky:2006:CHF,% Benassi:2000:CBS,% Benzi:2005:BCF,% Binning:2008:HSV,% Blomgren:2001:ETB,% Bofill:2001:RCQ,% Busch:2008:CPD,% Chiba:2008:PCM,% Chuev:2004:WAS,% Chuev:2008:HIS,% Clarke:2008:TAP,% Clarke:2009:IAP,% Cossi:2003:ESE,% Crespo-Otero:2004:TMI,% Cruz-Monteagudo:2007:CCD,% Curco:2007:CTM,% Curutchet:2001:SOP,% Curutchet:2006:DRC,% Dai:2007:LRM,% Dolney:2000:USM,% Dyrka:2008:IFT,% Echenique:2008:EMC,% Elking:2007:GID,% Endo:2001:AXX,% Fedorov:2006:PCM,% Feldmann:2008:MWB,% Fogolari:2001:MMD,% Formaneck:2006:UGB,% Forti:2008:EMC,% Fu:2006:CMT,% Fuchs:2006:NMP,% Gallicchio:2002:SNH,% Gallicchio:2004:AAI,% Galstyan:2009:ARP,% Grabuleda:2000:MDS,% Gresh:2004:IIE,% Gruziel:2008:PBM,% Guvench:2002:AFA,% Hamaneh:2009:RPH,% Hernandes:2003:CSL,% Hofinger:2001:DRP,% Holt:2008:ICM,% Holt:2008:IIC,% Hudaky:2004:SMI,% Im:2003:GBM,% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Jakli:2000:PMX,% Janetzko:2008:BDD,% Kaminski:2002:DPF,% Kaminski:2003:CIM,% Labute:2008:GBV,% Langella:2002:CAT,% Li:2003:HDM,% Li:2004:CMTb,% Li:2004:IEC,% Li:2004:MHA,% Li:2006:RCV,% Lovallo:2003:DNP,% Lovallo:2004:IMC,% Luman:2001:PAC,% Ma:2008:SOA,% Mannfors:2001:PEM,% Marun:2005:FCP,% Masella:2008:CPF,% Nakagawa:2007:PMP,% Nikitin:2007:NSS,% Otsuka:2002:TAE,% Palermo:2007:ABI,% Palermo:2007:EAB,% Patel:2004:CFCb,% Perczel:2003:TDD,% Pomelli:2004:TIG,% Quapp:2001:CQR,% Razumov:2001:MMC,% Seno:2006:ATS,% Taylor:2003:FFL,% Thompson:2003:PCM,% Tiraboschi:2000:PIM,% Totrov:2004:AEG,% Tsipis:2002:MAD,% Vasilkoski:2000:GPF,% Vasilkoski:2004:DCM,% Vilar:2008:QMA,% Vitalis:2009:ANC,% Wang:2000:HWD,% Watanabe:2001:CXR% }. \NAMECITE{model}{% Wennmohs:2005:DMM,% Whitehead:2001:MDS,% Wladkowski:2003:HCP,% Wu:2008:TSH,% Xie:2002:TSG,% Xie:2005:EEG,% Xu:2007:MOA,% Yang:2009:SMN,% Yoon:2009:MMM,% Yu:2006:WRD,% vanDroogenbroeck:2004:SMI,% Frediani:2004:NDS% }. \NAMECITE{modeled}{% Price:2005:DCB,% vanDroogenbroeck:2004:SMI% }. \NAMECITE{Modeling}{% Elstner:2003:MZB,% Freire:2005:MLC,% Masetti:2008:MHP,% Mckee:2007:MHE,% Mckee:2007:MNF,% Mediavilla:2009:MHP,% Poater:2009:MSP,% Schwobel:2009:MHB,% Siegbahn:2001:MAM,% Balata:2003:SEG,% Balata:2004:ESE,% Barone:2009:HMD,% Bessac:2008:DMR,% Bui:2007:WAM,% Cacelli:2009:FFM,% Condic-Jurkic:2008:MAB,% Davis:2008:MMP,% Dobrogorskaia-Mereau:2005:QCM,% Estrada:2004:QCD,% Eyal:2004:ISA,% Gallicchio:2004:AAI,% Goraczko:2001:MMF,% Harvey:2006:QMM,% Hemmateenejad:2006:APB,% Hemmateenejad:2009:AMA,% Hermida-Ramon:2003:IIP,% Hill:2004:RSP,% Hinsen:2000:MMT,% Jojart:2007:PGA,% Jorgensen:2005:MMO,% Ke:2006:SVC,% Kedzierski:2001:ATA,% Kim:2007:CVM,% Kosmopoulou:2006:CEL,% Kuta:2006:PDM,% Latek:2007:PSP,% Li:2008:QSM,% Lopez:2004:SEC,% Makowska:2005:TCH,% Marechal:2000:TMH,% Murphy:2000:MQM,% Olson:2008:PPL,% Sapre:2008:CMT,% Schulz-Gasch:2003:MIO,% Shi:2003:ESF,% Siegbahn:2005:QCM,% Stone:2007:AMM,% Stortz:2005:CPM,% Toropov:2009:QME,% Villa:2000:EWM,% Xiao:2008:UGD,% Yuzlenko:2009:MMA,% Zhang:2003:CIS,% Zyubin:2009:QCM,% Banks:2005:IMP% }. \NAMECITE{modelling}{% Poulain:2008:IPD% }. \NAMECITE{Models}{% Jug:2004:MTC,% Aleksandrov:2009:MMM,% Apgar:2009:CEM,% Atanasov:2006:DMC,% Cieplak:2001:MMM,% Concu:2009:CCS,% Cuadrado:2007:QMB,% Curco:2004:PSM,% Curco:2007:CGP,% Curutchet:2003:ECS,% Das:2003:PHM,% David:2000:CGB,% DeSancho:2007:ECG,% Donckels:2009:KBM,% Echenique:2006:EFE,% Fischer:2007:IBC,% Frenking:2007:EUW,% Gil:2009:IIC,% Glattli:2003:NAD,% Goncalves:2002:NAF,% Gonzalez-Diaz:2007:CCC,% Gonzalez-Diaz:2008:UQN,% Grohmann:2008:TRQ,% Haiduke:2005:ARU,% Haiduke:2006:ARAa,% Haiduke:2006:ARAb,% Hassinen:2001:NET,% Huang:2005:IHM,% Huang:2008:APP,% Hudaky:2001:PMX,% Jakli:2000:PMX,% Kinoshita:2002:MPA,% Krol:2003:CVI,% Lee:2008:RES,% Leherte:2006:SMB,% Lie:2008:DSS,% Lorenz:2007:DDS,% Michel:2004:PVG,% Mobli:2005:QVC,% Moon:2006:CQC,% Oakley:2005:LMP,% Oda:2005:NAF,% Perczel:2003:PMX,% Polo:2005:JSB,% Qian:2001:NPO,% Rabone:2006:IPM,% Rankin:2003:THP,% Rey-Stolle:2009:TBM,% Rotkiewicz:2008:FPR,% Rungnim:2005:DFS,% Schaefer:2001:EAV,% Schuurmann:2000:PHL,% Sherrill:2009:ASF,% Sigfridsson:2002:RPC,% Soderhjelm:2007:ADM,% Sommer:2001:MRI,% Sun:2006:CIS,% Vila:2009:PDF,% Wagoner:2004:EJW,% Wagoner:2004:SFB,% Wagoner:2005:ESF,% Wu:2007:SSC,% Yasar:2000:MPC,% Yu:2006:MDS,% Yu:2006:WRD,% Yuzlenko:2009:MMA,% Zacharias:2003:PSM,% Zhan:2009:CPN,% Zhang:2001:SMP,% Zheng:2009:STC,% Zhong:2008:TSP,% Tye:2006:CBC% }. \NAMECITE{Modern}{% Price:2002:MPF,% Frenking:2007:ESC,% Prall:2001:VGT% }. \NAMECITE{modes}{% Grafton:2007:VFW,% Lu:2002:GTN,% Masgrau:2003:DRC,% Olano:2005:FCN,% Torii:2002:ICM% }. \NAMECITE{Modification}{% Hogberg:2008:MCF,% Vyazovkin:2001:MII,% Yang:2004:MWI,% Chen:2009:CTS,% Kaminski:2003:CIM% }. \NAMECITE{Modified}{% Liu:2006:MCH,% Nakata:2009:MRS,% Ren:2004:MGL,% Arenas:2009:PAB,% Christianson:2000:ITC,% Kamishima:2001:CSG,% Nakamura:2006:TPA,% Vilar:2007:IDS,% Wu:2009:OBC% }. \NAMECITE{Modifying}{% Xu:2007:MOA% }. \NAMECITE{Modular}{% Echenique:2006:DSA% }. \NAMECITE{module}{% Hu:2006:MCS% }. \NAMECITE{moduli}{% Li:2009:ICB% }. \NAMECITE{{MOF}}{% Tafipolsky:2007:IPM% }. \NAMECITE{{MOF-5}}{% Tafipolsky:2007:IPM% }. \NAMECITE{{Moffitt}}{% Karafiloglou:2001:MCW% }. \NAMECITE{moiety}{% Liang:2008:PDD% }. \NAMECITE{{Moldyn}}{% Rog:2003:MPP% }. \NAMECITE{Molecular}{% Aleksandrov:2009:MMM,% Belmares:2004:HHS,% Braga:2007:MDS,% Bubel:2000:MMB,% Chao:2009:MDS,% Chen:2007:MMM,% Cieplak:2001:MMM,% Davis:2008:MMP,% Eslami:2007:MDS,% Fogolari:2001:MMD,% Fujimoto:2005:MDS,% Grabuleda:2000:MDS,% Huang:2009:MDS,% Ishida:2003:MIG,% Jorgensen:2005:MMO,% Kaminsky:2009:MDR,% Kasalova:2007:MST,% Kirschner:2003:MMF,% Komeiji:2009:FMO,% Langley:2001:MMCa,% Langley:2001:MMCb,% Langley:2001:MMCc,% Langley:2001:MMM,% Langley:2003:MMM,% Liang:2000:MMM,% Ma:2000:MPI,% Mazur:2001:MDM,% Miao:2009:MDO,% Mitchell:2000:MSP,% Monticelli:2008:MSM,% Nair:2004:MDI,% Pinak:2001:MDS,% Razumov:2001:MMC,% Rodriguez-Ropero:2008:MDC,% Song:2008:MMP,% Suarez:2002:MDS,% Vaiana:2003:MMF,% Whitehead:2001:MDS,% Yoshida:2003:MMM,% Yu:2006:MDS,% Yuzlenko:2009:MMA,% Zhang:2003:MCF,% Zhang:2009:MDS,% Addicoat:2009:KCS,% Agrafiotis:2001:MSV,% Aleksandrov:2006:TMC,% Alhambra:2000:HBI,% Allen:2009:GMG,% Allinger:2000:VWE,% Alvarez-Ginarte:2008:APR,% Amisaki:2003:DHA,% Anderson:2006:MSR,% Anisimov:2009:QQD,% Antony:2002:BDC,% Antony:2005:CTC,% Ayala:2000:ECL,% Babu:2003:IQO,% Baker:2000:EGO,% Ballester:2007:USR,% Bandyopadhyay:2008:SOA,% Banerjee:2005:ECA,% Bartels:2005:AFE,% Barthe:2002:HMP,% Bates:2008:MMS,% Bekker:2004:MON,% Benassi:2000:CBS,% Benkova:2005:RSP,% Borini:2005:CFC,% Borodin:2001:IQC,% Bultinck:2007:ALP,% Camiletti:2008:GBS,% Capar:2007:OEE,% Carbo-Dorca:2009:NQSb,% Cassam-Chenai:2006:VMF,% Chae:2001:FMS,% Chaumont:2002:MQT,% Chen:2005:ATA,% Cheng:2002:CPC,% Chiba:2008:PCM,% Chiu:2000:CMA,% Cho:2005:IAC,% Chocholousova:2006:BAR,% Chuev:2004:WAS,% Chun:2000:MDM,% Comba:2002:NMM,% Corcho:2004:CAC,% Cordomi:2007:EDT,% Corzana:2004:HSL,% Cournia:2005:MMF,% Curutchet:2003:EDM,% Damm:2000:RPF,% Danecek:2007:CNS,% Darkhovskii:2003:LHS,% Deeth:2005:DIL,% Delalande:2009:CMA,% Depizzol:2005:MNG% }. \NAMECITE{molecular}{% Diaz:2003:CPP,% Du:2005:HML,% Du:2006:HML,% Duan:2001:ATC,% Duan:2003:PCF,% Estiu:2006:QMM,% Exner:2002:PRSa,% Exner:2002:PRSb,% Fajer:2009:UMF,% Fatmi:2007:QMC,% Fattebert:2002:DFT,% Fedorov:2004:NHP,% Fedorov:2006:PCM,% Fedorov:2007:ATB,% Ferenczy:2001:III,% Ferrari:2006:SPS,% Ferro:2007:MES,% Field:2000:DLM,% Frickenhaus:2009:EES,% Friedrichs:2009:AMD,% Fritsch:2008:TMD,% Fuchs:2006:NMP,% Fuhrmann:2009:NMG,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Gallicchio:2004:AAI,% Gallicchio:2008:ARE,% Ganesh:2008:WWI,% Garcia-Cruz:2000:DMM,% Geerke:2009:DCF,% Genoni:2005:OVO,% Georgiev:2008:MDE,% Girones:2001:TMS,% Glykos:2006:SNU,% Goncalves:2002:NAF,% Goncalves:2003:FES,% Gonnet:2007:SAA,% Gorecki:2009:RRM,% Grazioso:2008:ANA,% Gresh:2004:CDI,% Gresh:2004:IIE,% Gresh:2005:RZI,% Hamacher:2007:ITM,% Hamaneh:2009:RPH,% Haranczyk:2008:SSO,% Hatano:2005:CMO,% Hayes:2004:FFD,% Heinz:2004:FPC,% Helal:2009:IMS,% Hemmateenejad:2008:AQT,% Henn:2007:CIM,% Higo:2001:CMM,% Higo:2002:HSH,% Hill:2004:RSP,% Hinsen:2000:MMT,% Hirama:2003:PMH,% Hnizdo:2008:ECC,% Holt:2008:IIC,% Horenko:2003:AIM,% Hori:2003:HQM,% Imamura:2008:CST,% Intharathep:2005:SDH,% Iori:2008:IIC,% Ishida:2004:AFA,% Ishikawa:2009:TSP,% Iwaoka:2009:SFF,% Jagielska:2007:ITF,% Jayaram:2002:FEC,% Jezierska:2009:IOH,% Johnston:2005:FBD,% Jung:2004:CMF,% Junquera-Hernandez:2005:MAS,% Kalat:2002:QPG,% Kaminski:2003:CIM,% Kavathekar:2009:WWI,% Kawata:2000:CEC,% Ke:2006:SVC,% Keil:2004:PRS,% Khan:2005:SPM,% Kholmurodov:2000:SPM,% Kikugawa:2009:AMS,% Kim:2008:PDS,% Kisowska:2008:SCB,% Knight:2000:RPD,% Koca:2003:CNZ,% Kolafa:2004:TRA,% Komeiji:2007:CPE,% Krautler:2001:FSA,% Krautler:2006:MTS,% Kristyan:2001:FAC,% Kristyan:2009:IPT,% Kritayakornupong:2004:SDC,% Kritayakornupong:2008:JTE,% Kritayakornupong:2009:SDP,% Krol:2003:CVI% }. \NAMECITE{molecular}{% Kuhn:2004:PPS,% Labello:2005:AEC,% Lamprecht:2000:MMF,% Lange:2006:FGA,% Lee:2003:ENA,% Lee:2003:NAA,% Lee:2005:EMD,% Lee:2007:CSM,% Li:2004:IEC,% Li:2007:EPT,% Lin:2005:DGO,% Linnanto:2004:SPM,% Lorenzo:2003:BCB,% Lorenzo:2003:NIF,% Luttmann:2009:AMD,% MacKerell:2000:AAE,% Mackerell:2004:ETB,% Mark:2002:SDL,% Martin:2009:CMG,% Martinez:2003:POA,% Martinez:2009:PPB,% Masamura:2001:IMOa,% Masamura:2001:IMOb,% Matsubara:2008:IEE,% Meineke:2005:OOO,% Miyata:2008:CMD,% Mo:2000:IQM,% Mongan:2004:CPM,% Morita:2001:INI,% Murphy:2000:MQM,% Naidoo:2001:WSA,% Nakamura:2009:RKD,% Oakes:2005:RSP,% Ohno:2006:LSM,% Ohta:2004:IBC,% Okumura:2006:MME,% Okur:2003:UPC,% Olano:2005:FCN,% Orzechowski:2002:TCC,% Otsuka:2007:WTA,% Ozawa:2008:CHB,% Pappalardo:2003:FEP,% Park:2005:NSM,% Patel:2004:CFCb,% Petridis:2009:MMF,% Phillips:2005:SMD,% Pinak:2003:OLB,% Piquemal:2003:ILF,% Piquemal:2004:EIL,% Poater:2001:PBL,% Pogliani:2006:HPM,% Pomelli:2001:SAT,% Porta:2007:CMM,% Porta:2008:CMM,% Prabhu:2004:ITS,% Prabhu:2008:EII,% Praprotnik:2008:NAA,% Price:2002:MPF,% Project:2008:PCP,% Queralt:2008:AMS,% Queyroy:2009:NEE,% Rafat:2007:AAP,% Raos:2000:IMF,% Ren:2002:CTI,% Rico:2001:CBG,% Rico:2004:EAC,% Rivero:2009:PPW,% Rocchia:2002:RGB,% Rog:2003:MPP,% Rogalewicz:2000:INZ,% Rousseau:2000:AEC,% Roux:2007:BPD,% Rurainski:2009:CLS,% Sabzyan:2007:EFE,% Saito:2007:NMD,% Salisburg:2009:RTP,% Sandberg:2009:CAH,% Schluttig:2008:CMD,% Schwobel:2009:MHB,% Sgrignani:2009:IDS,% Shi:2003:ESF,% Skeel:2002:MGM,% Stern:2004:SAI,% Stone:2007:AMM,% Storchi:2009:IUD,% Takahashi:2003:TSM,% Tamaoki:2005:STF,% Tappura:2000:NSC,% Tarasov:2008:NCM,% Tatsumi:2004:HMM,% Tiraboschi:2000:PIM,% Tiraboschi:2001:ICZ,% Titmuss:2002:CLS,% Tokmachev:2001:SIS,% Tokmachev:2005:TPS,% Tsodikov:2002:NCP,% Tubert-Brohman:2004:EPP,% Ujaque:2003:CCT% }. \NAMECITE{molecular}{% Umeda:2009:PFM,% Vadali:2004:SFG,% Valderrama:2003:EPA,% VanZele:2001:VNS,% Vasilyev:2002:FPE,% Vchirawongkwin:2007:QMM,% Vchirawongkwin:2007:TSS,% Volkov:2004:CEI,% Vreven:2000:AII,% Wan:2004:LSM,% Wang:2009:FPS,% Wang:2009:SDE,% Watanabe:2006:RGB,% Whitten:2006:EFD,% Witek:2003:MPT,% Wolff:2008:FPM,% Wright:2009:SCC,% Wu:2003:DAG,% Wysokinski:2001:PDD,% Xiong:2008:DSP,% Xu:2000:UFS,% Yang:2005:MAO,% Yang:2007:FEP,% Yang:2009:SMN,% Yoshida:2006:NMD,% Yoshizawa:2007:CFD,% Ytreberg:2004:EUN,% Yuki:2007:IIM,% Zhang:2009:AFE,% Zheng:2007:CSS,% Zheng:2009:ITS,% Zwier:2007:HMD,% vanderVaart:2000:LSM,% Bolshakov:2007:PNB,% Cacelli:2009:FFM,% Harvey:2003:MNA,% Lehnert:2006:ESI,% Li:2002:MMG,% Li:2009:CTP,% Masetti:2008:MHP% }. \NAMECITE{molecular-dynamics}{% Wolff:2008:FPM% }. \NAMECITE{molecular-loop}{% Porta:2007:CMM,% Porta:2008:CMM% }. \NAMECITE{molecule}{% Artemyev:2004:FBS,% Balucani:2001:GPD,% Cacelli:2009:FFM,% Foloppe:2000:AAE,% Kim:2008:CNG,% Martin:2005:CDW,% Nakai:2006:EDA,% Oostenbrink:2009:EFE,% Pinak:2003:OLB,% Rosso:2008:ICS,% Shi:2008:IME,% Soler:2004:FTA,% Su:2007:VBS,% Suresh:2008:RSW,% 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Hemmateenejad:2009:AMA% }. \NAMECITE{{MOLPRO}}{% Valderrama:2003:EPA% }. \NAMECITE{molybdenum}{% Brookes:2009:IPL,% Siegbahn:2005:QCM% }. \NAMECITE{moment}{% Holt:2008:EIQ,% Holt:2008:IIC,% Holt:2008:IQM% }. \NAMECITE{moments}{% DeProft:2002:ACD,% Gonzalez-diaz:2007:CCA,% Ma:2000:MPI,% Maroulis:2003:IDE,% Pilme:2008:ABC,% Rafat:2007:LRB,% Volkov:2004:CEI,% Yakovenko:2008:KAC% }. \NAMECITE{momentum}{% Giese:2008:EAT,% Wang:2001:HRE% }. \NAMECITE{mono}{% Chandra:2001:ROR,% Gu:2007:IGQ,% Mandado:2007:QCD,% Harman:2005:CDD% }. \NAMECITE{mono-}{% Chandra:2001:ROR% }. \NAMECITE{monoanion}{% Bachler:2009:TDD% }. \NAMECITE{monochloride}{% Zou:2005:ETS% }. \NAMECITE{monocopper}{% Gherman:2006:CSR% }. \NAMECITE{monoderivatives}{% Exner:2004:EFM% }. \NAMECITE{monofluoride}{% Liu:2008:ETS% }. \NAMECITE{monohalides}{% Cheng:2007:ESC% }. \NAMECITE{monohydrates}{% Galvez:2009:CTT% }. \NAMECITE{monomer}{% Yang:2007:FEP,% Zoete:2006:IIS% }. \NAMECITE{mononitrides}{% Wu:2006:ESM% }. \NAMECITE{mononuclear}{% Cao:2005:CAS,% Galstyan:2009:ARP% }. \NAMECITE{monooxygenase}{% Han:2006:DCM,% Herrmann:2006:SSP,% Torrent:2002:CSR% }. \NAMECITE{monophosphate}{% Mutyala:2007:CRB% }. \NAMECITE{monophosphide}{% Zhao:2007:CDQ% }. \NAMECITE{monopole}{% Zhu:2005:CMT% }. \NAMECITE{monoprotonated}{% Howard:2004:ICH% }. \NAMECITE{monosaccharides}{% Guvench:2008:AEF% }. \NAMECITE{monosilicide}{% He:2008:SSL% }. \NAMECITE{Monosilicon}{% Yang:2006:MSC% }. \NAMECITE{Monosilicon-substituted}{% Yang:2006:MSC% }. \NAMECITE{monosubstituted}{% Crespo-Otero:2004:TMI,% Lee:2009:SEE% }. \NAMECITE{monoxide}{% Galvez:2009:CTT,% Harman:2005:CDD,% Yang:2009:TSG% }. \NAMECITE{Monte}{% Nanias:2005:PSP,% Scemama:2007:MPD,% Aspuru-Guzik:2005:SAE,% Aspuru-Guzik:2005:ZPQ,% Bathe:2003:IMC,% Brown:2003:CWN,% Derreumaux:2000:PHH,% Feldmann:2008:MWB,% Fisher:2008:OIA,% Ghulghazaryan:2007:ECW,% Hu:2006:MCS,% Irback:2006:PMC,% Iwaoka:2009:SFF,% Kazmierkiewicz:2002:EBR,% Kegerreis:2007:OMC,% Khan:2005:SPM,% Lee:2000:MBI,% Leon:2002:IPS,% Li:2003:CMV,% Meinke:2009:FED,% Nakamura:2002:MCS,% Nakamura:2006:TPA,% Ozkan:2004:CSP,% Sayano:2000:MMC,% Schluttig:2008:CMD,% Shi:2008:IME,% Sklenar:2006:UIC,% Tafipolsky:2005:CRP,% Xue:2005:DSM,% Zarzycki:2004:SPA% }. \NAMECITE{{Monte-Carlo}}{% Kazmierkiewicz:2002:EBR% }. \NAMECITE{montmorillonite}{% Davis:2008:MMP% }. \NAMECITE{MoO}{% Li:2009:ICB% }. \NAMECITE{{MOPED}}{% Seok:2003:MMO% }. \NAMECITE{{MORPHY}}{% Malcolm:2003:IAL% }. \NAMECITE{{Morse}}{% Sefcik:2002:DCE% }. \NAMECITE{{M{\"o}ssbauer}}{% Han:2006:DCM% }. \NAMECITE{most}{% Kasalova:2007:MST% }. \NAMECITE{motif}{% Horng:2003:CMC,% Lu:2007:SSH% }. \NAMECITE{Motifs}{% Harvey:2003:MNA,% Wu:2006:DDS% }. \NAMECITE{motion}{% Barthe:2002:HMP,% Chiu:2000:CMA,% Lee:2007:CSM% }. \NAMECITE{motions}{% Higo:2001:CMM,% Katzer:2005:ITT,% Leherte:2008:CMR% }. \NAMECITE{{Mott}}{% Roy:2008:DMI% }. \NAMECITE{MOVB}{% Mo:2000:IQM% }. \NAMECITE{move}{% Shi:2008:IME% }. \NAMECITE{moving}{% Christen:2008:SSD% }. \NAMECITE{MP2}{% Wang:2004:SEA,% Baker:2002:EPA,% Echenique:2008:EMC,% Ford:2007:AFC,% Garcia-Cruz:2000:DMM,% Gresh:2004:IIE,% Ishimura:2006:NPA,% Ishimura:2007:NPA,% Jakli:2000:PMX,% Musch:2006:DMN,% Perczel:2003:PMX,% Pisani:2008:PLM,% Salvador:2006:GEI,% Wang:2004:SEA% }. \NAMECITE{{MP2/cc}}{% Wang:2004:SEA% }. \NAMECITE{{MP2/cc-pVTZ//MP2/6-31G**}}{% Wang:2004:SEA% }. \NAMECITE{{MpProp}}{% Soderhjelm:2007:ADM% }. \NAMECITE{{MPSim}}{% Cho:2005:MDH% }. \NAMECITE{{MRCI}}{% Kleinschmidt:2002:SOC,% Suo:2005:PMB% }. \NAMECITE{{MSINDO}}{% Bredow:2001:MPT,% Jug:2000:MPT,% Jug:2000:MSL,% Nair:2004:MDI,% Simpson:2009:MSA% }. \NAMECITE{{MST}}{% Curutchet:2001:SOP,% Curutchet:2003:TFC,% Forti:2008:EMC,% Munoz:2002:HSB% }. \NAMECITE{{MST}-based}{% Munoz:2002:HSB% }. \NAMECITE{{Mulliken}}{% Guerra:2004:VDD% }. \NAMECITE{multi}{% Altman:2009:ASM,% Sakharov:2009:FFI% }. \NAMECITE{multi-region}{% Altman:2009:ASM% }. \NAMECITE{multi/heavy}{% Sakharov:2009:FFI% }. \NAMECITE{multiatom}{% Saravanan:2003:SMM% }. \NAMECITE{Multibaric}{% Okumura:2006:MME% }. \NAMECITE{multibody}{% Chun:2000:MDM% }. \NAMECITE{Multicanonical}{% Hayryan:2001:MPS,% Sayano:2000:MMC,% Yasar:2000:MPC,% Kamiya:2001:RAS,% Yasar:2002:EMS% }. \NAMECITE{multicenter}{% Duret:2008:SEI,% Morita:2001:INI% }. \NAMECITE{multicentered}{% Dardenne:2001:RFU,% Hopkins:2003:MAI,% Whitehead:2003:TAE% }. \NAMECITE{multicomponent}{% Szabelski:2004:KEM% }. \NAMECITE{multiconfiguration}{% Nakano:2002:QDP% }. \NAMECITE{multiconfigurational}{% Gonzalez:2006:PCM,% Perez-Jimenez:2007:MMW% }. \NAMECITE{multicore}{% Kiyota:2009:MQM% }. \NAMECITE{Multicut}{% Li:2004:MHA% }. \NAMECITE{Multicut-{HDMR}}{% Li:2004:MHA% }. \NAMECITE{Multidimensional}{% Agrafiotis:2001:MSC,% Agrafiotis:2001:MSV,% Chuang:2007:CRC,% Hudaky:2005:TDD,% Perczel:2000:TDD,% Perczel:2003:TDD,% Rajamani:2003:IAU% }. \NAMECITE{Multidimensionality}{% Fias:2008:MDI% }. \NAMECITE{multiensemble}{% Han:2001:AMS% }. \NAMECITE{multiexponential}{% Gill:2003:RQM% 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Amisaki:2003:DHA,% Bordner:2003:BES,% Choi:2001:NPO,% Giese:2008:EAT,% Kawata:2000:CEC,% Korchowiec:2009:ECT,% Maroulis:2003:IDE,% Rafat:2007:LRB,% Sabzyan:2007:EFE,% Steiger:2001:LSC,% Swart:2001:CAD,% Tiraboschi:2001:ICZ,% Volkov:2004:CEI,% Walsh:2009:MBW,% Whitehead:2003:TAE,% Yakovenko:2008:KAC,% Zhu:2005:CMT% }. \NAMECITE{multipole-based}{% Walsh:2009:MBW% }. \NAMECITE{multipoles}{% Kedzierski:2001:ATA,% Soderhjelm:2007:ADM% }. \NAMECITE{multipopulation}{% Habershon:2003:DMP% }. \NAMECITE{Multireference}{% Witek:2003:MPT,% Camacho:2009:ISM,% Dallos:2002:DEM,% Helal:2009:IMS,% Koslowski:2003:IGM,% Ma:2006:MCI,% Musch:2006:DMN,% Queralt:2008:AMS,% Umeda:2001:PMP,% Umeda:2004:IPP,% Witek:2002:ISA,% deSouza:2009:CMC% }. \NAMECITE{multireference-{MP2}}{% Musch:2006:DMN% }. \NAMECITE{Multiscale}{% Sandak:2001:MFS,% Olson:2008:PPL% }. \NAMECITE{multiscaling}{% Voltz:2008:CGF% }. \NAMECITE{{Multispecies}}{% Gonzalez-Diaz:2008:UQN% }. \NAMECITE{Multistate}{% Junquera-Hernandez:2005:MAS,% Fajer:2009:UMF,% Monticelli:2008:MSM,% Yanover:2007:DEE% }. \NAMECITE{multithermal}{% Okumura:2006:MME% }. \NAMECITE{mutagenesis}{% Moreira:2007:CAS% }. \NAMECITE{mutant}{% Das:2009:FES% }. \NAMECITE{mutants}{% Gonzalez-Diaz:2007:CCC,% Mutyala:2007:CRB% }. \NAMECITE{mutase}{% Hall:2000:AHQ% }. \NAMECITE{mutations}{% Hasegawa:2007:ESG% }. \NAMECITE{mutual}{% Hnizdo:2008:ECC% }. \NAMECITE{mutual-information}{% Hnizdo:2008:ECC% }. \NAMECITE{{MXO}}{% Harman:2005:CDD% }. \NAMECITE{myoglobin}{% Aschi:2004:CFE% }. \NAMECITE{myosin}{% Higo:2001:CMM% }. \NAMECITE{N}{% Gillespie:2007:EGL,% Jin:2009:SBS,% Kan:2007:TIP,% Kobayashi:2001:TSE,% Lai:2008:TCH,% Li:2006:RCS,% Lu:2009:GEA,% Mckee:2007:MHE,% Mckee:2007:MNF,% Oncak:2008:ESP,% Simoes:2007:EBW,% Togo:2008:FPL,% Wang:2006:TSS,% Wolff:2008:FPM,% Wu:2008:TSH,% Xie:2008:EEA,% Yu:2006:TSS,% Zhang:2001:CRE,% Zhu:2003:TSS,% Rog:2003:MPP,% Xie:2004:HBS,% Zeng:2004:HBS,% Chun:2000:MDM,% DelCarmenMichelini:2005:ETA,% Fan:2008:TSF,% Fisher:2001:MPB,% Hori:2002:SCC,% Kim:2007:EEG,% Kisowska:2008:SCB,% Lu:2009:GEA,% Luman:2001:PAC,% McDowell:2008:CSS,% Mckee:2007:MNF,% Perczel:2003:TDD,% Rocha:2006:RRA,% Sarma:2000:LSY,% Shi:2008:PSI,% Wang:2001:TSP,% Williams:2001:IIFb,% Wu:2008:QMS,% Wu:2008:TSH,% Zhang:2009:EIM,% Zhu:2009:SPH% }. \NAMECITE{N'-}{% Wu:2008:TSH% }. \NAMECITE{N-dimethyl}{% Wu:2008:TSH% }. \NAMECITE{{N-dimethylhydrazone}}{% Lu:2009:GEA% }. \NAMECITE{{N-formyl-serinamide}}{% Perczel:2003:TDD% }. \NAMECITE{{NaCl}}{% Patra:2004:SCF% }. \NAMECITE{{NAMD}}{% Phillips:2005:SMD% }. \NAMECITE{Nano}{% Estrada:2007:PSN% }. \NAMECITE{nanoalloy}{% Lloyd:2005:SIE% }. \NAMECITE{nanocomposite}{% Davis:2008:MMP% }. \NAMECITE{nanomaterials}{% Gao:2008:EFP% }. \NAMECITE{nanomedicine}{% Poater:2009:MSP% }. \NAMECITE{nanoneedles}{% Poater:2009:MSP% }. \NAMECITE{nanoparticles}{% Cervellino:2006:EEF,% Kovalyov:2008:SSP,% Zhou:2009:FFC% }. \NAMECITE{nanotube}{% Kim:2008:CNG,% Xu:2009:NED% }. \NAMECITE{nanotubes}{% Braga:2007:MDS,% Zhou:2008:ICS% }. \NAMECITE{nanowire}{% Kim:2008:CNG% }. \NAMECITE{naphthalene}{% Cuesta:2009:URC,% Hermida-Ramon:2007:BSH,% Wang:2009:NBT% }. \NAMECITE{naphthalene-like}{% Wang:2009:NBT% }. \NAMECITE{naphthoic}{% Campomanes:2005:SBR% }. \NAMECITE{naphthylisoquinoline}{% Bringmann:2001:MBC% }. \NAMECITE{native}{% Betancourt:2001:FNH,% Chiu:2008:SEF,% Dominy:2002:INL,% Mayaan:2007:CFF,% Wroblewska:2007:CPB,% Zhan:2009:CPN,% Zhang:2004:SCA% }. \NAMECITE{native-like}{% Dominy:2002:INL% }. \NAMECITE{Natural}{% Feldgus:2000:NRT,% Bachler:2007:ONA,% Goodman:2007:DFN,% Liu:2005:SCP,% Piris:2009:IDO,% Rabone:2006:IPM% }. \NAMECITE{naturally}{% Cheng:2009:SSC% }. \NAMECITE{Nature}{% Chesnut:2004:NBS,% Seo:2008:NSC,% Angeli:2009:NIE,% Kedzierski:2000:NAN,% Ponec:2005:CSA% }. \NAMECITE{Nb}{% Wolff:2008:FPM% }. \NAMECITE{nbo}{% Karafiloglou:2001:MCW,% Barone:2001:NJC% }. \NAMECITE{NCH}{% Kepenekian:2009:EFN% }. \NAMECITE{NCN}{% Launay:2005:TSS% }. \NAMECITE{{NDDO}}{% Curutchet:2003:TFC,% Ferenczy:2001:III% }. \NAMECITE{{NDDO}-based}{% Curutchet:2003:TFC% }. \NAMECITE{near}{% Bekker:2004:MON,% Petrella:2003:IMN,% Yang:2009:SMN,% Zhang:2004:SCA% }. \NAMECITE{near-minimal-volume}{% Bekker:2004:MON% }. \NAMECITE{near-native}{% Zhang:2004:SCA% }. \NAMECITE{near-neighbor}{% Petrella:2003:IMN% }. \NAMECITE{near-solute}{% Yang:2009:SMN% }. \NAMECITE{Nearest}{% Hnizdo:2007:NNN,% Hnizdo:2008:ECC% }. \NAMECITE{Nearest-neighbor}{% Hnizdo:2007:NNN,% Hnizdo:2008:ECC% }. \NAMECITE{{NEB}}{% Galvan:2008:IEN% }. \NAMECITE{needle}{% Betancourt:2001:FNH% }. \NAMECITE{{Negative}}{% Bobrowski:2002:ISM% }. \NAMECITE{Neglect}{% Laikov:2007:NFA% }. \NAMECITE{neglected}{% Wan:2004:LSM% }. \NAMECITE{neighbor}{% Hnizdo:2007:NNN,% Hnizdo:2008:ECC,% Petrella:2003:IMN% }. \NAMECITE{neighbors}{% Rychkov:2007:JNA% }. \NAMECITE{nematogenic}{% Cacelli:2009:FFM% }. \NAMECITE{neopentyl}{% Yamabe:2007:TSR% }. \NAMECITE{Nernst}{% Dyrka:2008:IFT% }. \NAMECITE{net}{% Ball:2002:ENA% }. \NAMECITE{Network}{% 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Ivanic:2003:MMG,% Page:2003:GES,% Ryde:2002:QCG% }. \NAMECITE{Optimized}{% Kegerreis:2007:OMC,% VanLenthe:2003:OST,% Varekova:2006:OPI,% Brothers:2004:PCZ,% Fisher:2008:OIA,% Lin:2007:SVM,% Manninen:2006:SGB,% Morita:2008:PCSa,% Morita:2008:PCSb,% Watanabe:2006:RGB,% Witek:2003:MPT% }. \NAMECITE{optimizer}{% Kairys:2002:EDM% }. \NAMECITE{optimizing}{% Qian:2001:NPO,% Seok:2003:MMO% }. \NAMECITE{Orbit}{% Duke:2001:CSO,% Chiodo:2008:DSO,% Chiodo:2009:OES,% Dai:2008:ESO,% Kaupp:2002:CET,% Kleinschmidt:2002:SOC,% Liu:2008:ETS,% Liu:2008:SOI% }. \NAMECITE{Orbital}{% Komeiji:2009:FMO,% Penotti:2006:OOC,% Wu:2012:LER,% Alcoba:2006:OLC,% Anisimov:2009:QQD,% Ayala:2000:ECL,% Chiba:2008:PCM,% Fedorov:2004:NHP,% Fedorov:2006:PCM,% Fedorov:2007:ATB,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Garcia-Cruz:2000:DMM,% Goodman:2007:DFN,% Haranczyk:2008:SSO,% Hirao:2008:RBO,% Imamura:2008:CST,% Ishikawa:2009:TSP,% Kang:2009:LAS,% Kisowska:2008:SCB,% Komeiji:2007:CPE,% Linnanto:2004:SPM,% Masamura:2001:IMOa,% Masamura:2001:IMOb,% Mo:2000:IQM,% Morita:2008:PCSa,% Nakamura:2009:RKD,% Ohno:2006:LSM,% Ozawa:2008:CHB,% Piris:2009:IDO,% Shi:2008:PSI,% Song:2009:EAE,% Tubert-Brohman:2004:EPP,% Umeda:2009:PFM,% Vreven:2000:AII,% Wannere:2007:ESO,% vanLenthe:2012:LEE,% vanderVaart:2000:LSM% }. \NAMECITE{orbital-based}{% Chiba:2008:PCM% }. \NAMECITE{orbital-correlation}{% Shi:2008:PSI% }. \NAMECITE{Orbital-orthogonality}{% Penotti:2006:OOC% }. \NAMECITE{orbital-valence}{% Mo:2000:IQM% }. \NAMECITE{orbitals}{% Anikin:2003:LBO,% Bachler:2007:ONA,% Borini:2005:CFC,% Chong:2004:ETS,% Ema:2003:PBS,% Fornili:2006:SSL,% Genoni:2005:OVO,% Gomes:2002:EGE,% Hatano:2005:CMO,% Inaba:2005:AED,% Ishida:2003:MIG,% Junquera-Hernandez:2005:MAS,% Kaupp:2007:RRN,% Knight:2000:RPD,% Landis:2007:VEV,% Morita:2001:INI% }. \NAMECITE{order}{% Bieniasz:2004:FOA,% Distasio:2007:IAA,% Fradera:2004:SOA,% Grimme:2003:ITO,% Imamura:2008:EDA,% Jung:2007:FES,% Kahn:2007:CTO,% Li:2003:HDM,% Liu:2008:EBO,% Mayer:2007:BOV,% Miao:2009:MDO,% Queralt:2008:AMS,% Rudolph:2005:AECa,% Rudolph:2005:AECb,% Rudolph:2005:AECc,% Yoshizawa:2009:REC% }. \NAMECITE{ordering}{% Samolyuk:2008:RBC% }. \NAMECITE{organic}{% Aquino:2003:AOS,% Basilevsky:2006:CHF,% Benassi:2000:CBS,% Cieplak:2001:MMM,% Delgado:2001:PID,% Estrada:2004:QCD,% Ewig:2001:DCI,% Golmohammadi:2009:POW,% Helal:2009:IMS,% Hill:2004:RSP,% Jiang:2003:NTI,% Jirouskova:2009:SNU,% Jorgensen:2005:MMO,% Kim:2004:PPP,% Li:2002:TIE,% Lin:2007:SVM,% Lopez-Martinez:2009:TSE,% Page:2003:GES,% Patel:2004:CFCa,% Shen:2004:HPS,% Shi:2003:ESF,% Tafipolsky:2007:IPM,% VanEijck:2002:CSP,% Wang:2000:HWD,% Yang:2005:MAO% }. \NAMECITE{organizing}{% Bandyopadhyay:2008:SOA,% Zhu:2007:SOS% }. \NAMECITE{organocatalytic}{% Wei:2009:PCT% }. \NAMECITE{{organocopper}}{% Yamanaka:2003:TSS% }. \NAMECITE{{organocuprate}}{% Yamanaka:2003:TSS% }. \NAMECITE{organometallic}{% Goraczko:2001:MMF,% Shi:2003:ESF,% Tchougreeff:2008:CSC,% Toropov:2009:QME% }. \NAMECITE{orientation}{% Bu:2000:ODD,% Ma:2008:SOA% }. \NAMECITE{oriented}{% Chowdry:2007:OOL,% Flocke:2008:EEI,% Meineke:2005:OOO,% Rog:2003:MPP% }. \NAMECITE{Origin}{% Jagielska:2007:OIH,% Garcia-Yoldi:2007:OTE,% Khoroshun:2007:ERO% }. \NAMECITE{Orthogonal}{% Bachler:2007:ONA% }. \NAMECITE{orthogonality}{% Penotti:2006:OOC% }. \NAMECITE{orthogonalized}{% Laikov:2007:NFA% }. \NAMECITE{orthonormality}{% Anikin:2003:LBO% }. \NAMECITE{oscillation}{% Conte:2007:DEF% }. \NAMECITE{oscillations}{% Darowicki:2006:JTF,% Shukla:2000:ISE% }. \NAMECITE{oscillator}{% Andrushchenko:2008:CDE,% Lopes:2009:PEF% }. \NAMECITE{other}{% Prabhakar:2003:CMR,% Vreven:2003:GOQ% }. \NAMECITE{outer}{% Boschitsch:2007:NOB,% Gromiha:2004:NNB% }. \NAMECITE{outline}{% Stepanenko:2008:NTS% }. \NAMECITE{overall}{% Li:2005:SFS% }. \NAMECITE{overcome}{% Visscher:2002:DEQ% }. \NAMECITE{overdetermined}{% Rathinavelan:2007:ETF% }. \NAMECITE{overlap}{% Lu:2004:IER,% Sapre:2009:GCO% }. \NAMECITE{overview}{% Schlegel:2003:EPE,% Mackerell:2004:EFF% }. \NAMECITE{oxazolidones}{% Okumoto:2001:CSB% }. \NAMECITE{oxazoline}{% Xue:2005:DSM% }. \NAMECITE{oxidase}{% Blomberg:2006:QCA,% Johansson:2008:CPM,% Wan:2004:QSA% }. \NAMECITE{oxidases}{% Prabhakar:2003:CMR% }. \NAMECITE{oxidation}{% Barman:2009:IMM,% DelCarmenMichelini:2005:ETA,% Garcia-Cruz:2000:DMM,% Gonzalez-Garcia:2005:ESS,% Li:2005:DPT,% Ramirez-Anguita:2009:FPDb,% Siegbahn:2005:QCM,% Xue:2009:SOS% }. \NAMECITE{Oxidative}{% DeJong:2005:OAE,% Lamprecht:2000:MMF,% Prabhakar:2006:DSM% }. \NAMECITE{oxide}{% Borodin:2001:IQC,% Catlow:2008:ZOC,% Chen:2009:IDR,% Jin:2006:RMC,% Jug:2008:IID,% Lehnert:2006:ESI,% Pykavy:2007:SQC,% Rivalta:2006:MAC,% Smith:2002:RQC,% Zarzycki:2004:SPA% }. \NAMECITE{oxide/electrolyte}{% Zarzycki:2004:SPA% }. \NAMECITE{oxides}{% Zarzycki:2005:RSH,% Zhang:2005:TSR% }. \NAMECITE{oxidized}{% Choe:2007:TSE,% Comba:2002:NMM% }. \NAMECITE{oxidoreductases}{% Carvalho:2009:RVA% }. \NAMECITE{oxidosqualene}{% Schulz-Gasch:2003:MIO% }. \NAMECITE{oxo}{% Choe:2005:EAC,% Wu:2008:TSH% }. \NAMECITE{oxo-porphyrins}{% Choe:2005:EAC% }. \NAMECITE{oxocarbenium}{% Liang:2000:MMM% }. \NAMECITE{oxoguanine}{% Fujimoto:2005:MDS,% Jena:2007:FNO,% Pinak:2003:OLB% }. \NAMECITE{oxohydrocarbons}{% Williams:2001:IIFa% }. \NAMECITE{oxoimidazoles}{% Jena:2008:RHA% }. \NAMECITE{oxonols}{% Baker:2000:HIS% }. \NAMECITE{oxygen}{% Gherman:2006:CSR,% Gooding:2000:FPQ,% Marechal:2006:DSR,% Saito:2009:FFP,% Wright:2009:SCC,% Xue:2009:SOS% }. \NAMECITE{oxygen-adsorbed}{% Xue:2009:SOS% }. \NAMECITE{{oxyl}}{% Arnaud:2003:TSI% }. \NAMECITE{{oxyl-}}{% Arnaud:2003:TSI% }. \NAMECITE{oxynitrides}{% Wolff:2008:FPM% }. \NAMECITE{ozone}{% Yang:2008:DDS% }. \NAMECITE{P}{% Balucani:2001:GPD,% Gogtas:2008:TDQ,% Kan:2009:TPR,% Lai:2008:TCH,% Lipkowitz:2000:BRB,% Oncak:2008:ESP,% Qu:2005:ESS,% Wang:2009:FPS,% Zhang:2001:CRE,% Massova:2002:PKM,% Corcho:2004:CAC,% Mitrasinovic:2001:QCP,% Rani:2007:ESB,% Rocha:2006:RRA,% Totrov:2004:AEG,% Kan:2009:TPR% }. \NAMECITE{{P450}}{% Altun:2006:SQM,% Harvey:2006:QMM,% Leong:2009:PHC,% Zheng:2007:CSS% }. \NAMECITE{{P450}-catalyzed}{% Altun:2006:SQM% }. \NAMECITE{P450nor}{% Lehnert:2006:ESI% }. \NAMECITE{{P450s}}{% Oda:2005:NAF% }. \NAMECITE{{p8}}{% Barthe:2002:HMP% }. \NAMECITE{{{P\_Anhar}}}{% Gohaud:2005:NPS% }. \NAMECITE{package}{% Aspuru-Guzik:2005:ZPQ,% Borras-Almenar:2001:SNU,% Crawford:2007:POS,% Gorecki:2009:RRM,% Irback:2006:PMC,% Kholmurodov:2000:SPM,% Kliesch:2001:EEP,% Kong:2000:QCH,% Martinez:2009:PPB,% OBoyle:2008:CLP,% Pernpointner:2000:PFC,% Rog:2003:MPP% }. \NAMECITE{package-independent}{% OBoyle:2008:CLP% }. \NAMECITE{packed}{% Ahlrichs:2002:ELA% }. \NAMECITE{Packing}{% Martinez:2003:POA,% Chen:2009:CTS,% Curco:2007:CTM% }. \NAMECITE{{{Packmol}}}{% Martinez:2009:PPB% }. \NAMECITE{{PAH}}{% Donchev:2008:NET% }. \NAMECITE{Pair}{% Fedorov:2007:PIE,% Fradera:2004:SOA,% Gillespie:2007:EGL,% Han:2004:FPP,% Klopper:2001:EIB,% Levashov:2007:QCP,% Ma:2006:MCI,% Malrieu:2007:EBE,% Nilsson:2009:ETL,% Ponec:2005:EPC,% Ren:2004:MGL,% Sherer:2001:QCC,% Sherer:2003:FAM,% Simoes:2007:EBW,% Ponec:2007:EPC% }. \NAMECITE{pairing}{% Dirks:2004:ACN,% Harvey:2003:MNA,% Ponec:2005:EPC,% Ponec:2007:EPC% }. \NAMECITE{pairlist}{% Heinz:2004:FPC% }. \NAMECITE{pairlist-construction}{% Heinz:2004:FPC% }. \NAMECITE{pairs}{% Bessac:2008:DMR,% Chen:2009:PIM,% Fan:2007:CLS,% Kumar:2004:TSS,% Petrella:2003:IMN,% Zhang:2009:TUV% }. \NAMECITE{pairwise}{% Anonymous:2005:EDS,% Chen:2009:ACP,% Michel:2004:PVG,% Shaw:2005:FSM,% Vasilyev:2002:FPE,% Vizcarra:2008:IPD% }. \NAMECITE{Palermo}{% VanMourik:2008:CAB% }. \NAMECITE{palladium}{% Wang:2008:DFS,% Wang:2009:RMP% }. \NAMECITE{palladium-catalyzed}{% Wang:2008:DFS,% Wang:2009:RMP% }. \NAMECITE{pancreatic}{% Masella:2008:CPF% }. \NAMECITE{paper}{% Jorgensen:2012:LEC,% Wu:2012:LER% }. \NAMECITE{para}{% Alves-Santos:2006:ASD,% Kraka:2001:PDP,% Zhu:2009:SPH% }. \NAMECITE{para-didehydropyridine}{% Kraka:2001:PDP% }. \NAMECITE{para-didehydropyridinium}{% Kraka:2001:PDP% }. \NAMECITE{para-hydrogen}{% Zhu:2009:SPH% }. \NAMECITE{paradox}{% Carbo-Dorca:2009:NQSa% }. \NAMECITE{Parallel}{% Baker:2007:PDG,% Dudley:2006:PCP,% Mitin:2003:PSI,% Tiraboschi:2000:PIM,% Umeda:2009:PFM,% Alexeev:2007:PDD,% Anonymous:2005:EDS,% Aspuru-Guzik:2005:ZPQ,% Baker:2002:EPA,% Baker:2009:QCP,% Choi:2001:NPO,% Gohaud:2005:NPS,% Gresh:2004:CDI,% Gresh:2004:IIE,% Gresh:2005:RZI,% Habershon:2003:DMP,% Hayryan:2001:MPS,% Inaba:2007:DPD,% Ishimura:2006:NPA,% Ishimura:2007:NPA,% Khan:2005:SPM,% Kim:2009:CSP,% Kutzner:2007:SPG,% Meineke:2005:OOO,% Morales:2000:PTS,% Nakamura:2002:NMP,% Netzloff:2004:FFD,% Shaw:2005:FSM,% Slepoy:2007:SGO,% Takashima:2002:NPA,% Tiraboschi:2001:ICZ% }. \NAMECITE{Parallelization}{% Geudtner:2006:PDC,% Pernpointner:2000:PFC,% Pernpointner:2003:PFC,% Suo:2005:PMB,% Umeda:2001:PMP,% Carpenter:2002:APA,% Fedorov:2004:NHP,% Feldmann:2008:MWB,% Umeda:2004:IPP,% Vadali:2004:SFG,% vanGisbergen:2000:TEE% }. \NAMECITE{parallelized}{% Thormann:2001:MDF,% Varekova:2006:OPI% }. \NAMECITE{parallelizing}{% Saito:2007:NMD% }. \NAMECITE{parameter}{% Busch:2008:CPD,% Choi:2001:NPO,% Crocker:2005:MAP,% He:2009:EPS,% Miao:2009:MDO,% Oostenbrink:2004:BFF,% Soares:2005:INA,% Foloppe:2000:AAE% }. \NAMECITE{Parameterization}{% Kahn:2002:POA,% Project:2008:PCP,% Spiegel:2008:PAB,% Thompson:2003:PCM,% Bredow:2001:MPT,% Fisher:2001:MPB,% Johansson:2008:CPM,% Jug:2000:MPT,% Liang:2000:MMM,% Michel:2004:PVG,% Patel:2004:CFCa,% Ryjacek:2003:NPC,% Tejero:2007:PDS,% Vaiana:2003:MMF,% Wang:2001:APF,% Jakalian:2002:FEG,% Jirouskova:2009:SNU% }. \NAMECITE{parameterized}{% Guvench:2004:EAA% }. \NAMECITE{parameters}{% Abu-Awwad:2000:VPB,% Al-Matar:2004:GEM,% Anonymous:2006:EZX,% Autenrieth:2004:CFF,% Belmares:2004:HHS,% Brothers:2004:PCZ,% Burda:2005:HPA,% Chen:2002:CIS,% Djurdjevic:2006:IPF,% Donckels:2009:KBM,% Ferre:2002:SFF,% Freindorf:2005:LJP,% Freire:2005:MLC,% Hernandes:2003:CSL,% Katagiri:2008:IPS,% Komaromi:2008:DGR,% Kosinsky:2004:DFF,% Kristyan:2001:FAC,% Mayaan:2007:CFF,% McQuaid:2004:DVC,% Meagher:2003:DPP,% Min:2008:CBS,% Moon:2006:CQC,% Oda:2005:NAF,% Ode:2008:FFP,% Otte:2009:FFP,% Park:2005:NSM,% Rodriguez-Ropero:2008:ICS,% Saito:2009:FFP,% Schwobel:2009:MHB,% Seok:2003:MMO,% Song:2008:MMP,% Sousa:2009:CAP,% Tokmachev:2005:TPS,% Tran:2001:CATa,% VanZele:2001:VNS,% Vemparala:2006:ICI,% Wang:2006:SBO,% Zwier:2007:HMD% }. \NAMECITE{Parametrization}{% Poater:2001:PBL,% Curutchet:2001:SOP,% Strassner:2002:MPF,% Wennmohs:2005:DMM% }. \NAMECITE{parametrized}{% Rankin:2003:THP,% Tafipolsky:2007:IPM% }. \NAMECITE{paraoxon}{% Zhang:2009:MDS% }. \NAMECITE{parent}{% Munoz:2004:PEB,% Yang:2008:TSR% }. \NAMECITE{{Pareto}}{% Suarez:2008:POC% }. \NAMECITE{{Paris}}{% Hill:2004:RSP% }. \NAMECITE{{Parr}}{% Kristyan:2009:IPT% }. \NAMECITE{{Parrinello}}{% Jezierska:2009:IOH,% Schmid:2004:CPS% }. \NAMECITE{part}{% Alcaro:2007:QFA,% Carbo-Dorca:2009:NQSb,% El-Sherbiny:2004:ERP,% Gonzalez-Diaz:2008:UQN,% Langley:2001:MMM,% vanDroogenbroeck:2004:SMI,% Alcaro:2000:QFA,% Rudolph:2005:AECc,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb% }. \NAMECITE{Partial}{% Ikeguchi:2004:PRB,% Basma:2001:SEA,% Golmohammadi:2009:POW,% Kristyan:2001:FAC% }. \NAMECITE{partially}{% Storchi:2009:IUD% }. \NAMECITE{particle}{% Anonymous:2005:EDS,% Barash:2003:ISL,% Call:2007:GMS,% Giese:2008:EAT,% Kawata:2000:CEC,% Kholmurodov:2000:SPM,% Lin:2007:SVM,% Shaw:2005:FSM,% Shen:2004:HPS,% Siegert:2007:GDP,% Suo:2005:PMB% }. \NAMECITE{particles}{% Benzi:2005:BCF,% Wang:2009:SDE% }. \NAMECITE{particularly}{% Blomberg:2006:QCA% }. \NAMECITE{partition}{% Cieplak:2001:MMM,% Curutchet:2003:TFC,% Dirks:2003:PFA,% Georgiev:2008:MDE,% Golmohammadi:2009:POW,% Raub:2007:QCI,% Tafipolsky:2005:CRP% }. \NAMECITE{partitioning}{% Angyan:2003:OTO,% DeProft:2002:ACD,% DeProft:2003:HPE,% Hemmateenejad:2006:APB,% Rafat:2007:AAP,% Volkov:2004:CEI,% Witek:2003:MPT% }. \NAMECITE{path}{% Anglada:2001:EQR,% Anglada:2001:QRP,% Blondel:2004:EVF,% Bofill:2001:RCQ,% Chen:2009:PRW,% Galvan:2008:IEN,% Gao:2008:CQM,% Jezierska:2009:IOH,% Kliesch:2001:EEP,% Quapp:2001:CQR,% Uchimaru:2003:IIR,% VanZeist:2008:PSY,% Wang:2005:PCS,% Woodcock:2007:IQC,% Chen:2013:EPR% }. \NAMECITE{paths}{% Facchini:2003:CRB% }. \NAMECITE{pathway}{% Li:2009:CTP,% Wang:2001:TSP% }. \NAMECITE{pathways}{% Alfonso:2003:FNE,% Jang:2006:MPC,% Lei:2004:SPC,% Matamala:2007:SAI,% Quapp:2004:RPP,% Ramirez-Anguita:2009:FPDa,% Ramirez-Anguita:2009:FPDb% }. \NAMECITE{Pattern}{% Davies:2002:PRM,% Exner:2002:PRSa,% Exner:2002:PRSb,% Keil:2004:PRS,% Alvarez-Ginarte:2008:APR,% Hageman:2003:PPI,% deGelder:2001:GES,% Exner:2002:PRSa% }. \NAMECITE{patterns}{% Cervellino:2006:EEF,% Goraczko:2001:MMF% }. \NAMECITE{{Pauli}}{% Ishida:2003:MIG% }. \NAMECITE{{PB}}{% Gohlke:2004:CFE,% Wittayanarakul:2008:APP% }. \NAMECITE{PBCAID}{% Qian:2001:NPO% }. \NAMECITE{{PBSA}}{% Page:2006:CMP% }. \NAMECITE{{PbTiO}}{% Zhang:2009:FPC% }. \NAMECITE{{PC}}{% Anonymous:2001:CBC,% Beuve-Mery:2001:PAC,% Hemmateenejad:2004:AIT,% Okur:2003:UPC% }. \NAMECITE{{PC-GA-ANN}}{% Hemmateenejad:2004:AIT% }. \NAMECITE{PCM}{% Fedorov:2006:PCM,% Cossi:2003:ESE% }. \NAMECITE{{PCs}}{% Hu:2007:WSB% }. \NAMECITE{{Pd}}{% DeJong:2005:OAE,% Grybos:2009:INM% }. \NAMECITE{{PDDG}}{% Repasky:2002:PPP,% Tubert-Brohman:2004:EPP% }. \NAMECITE{{PDDG/MNDO}}{% Repasky:2002:PPP,% Tubert-Brohman:2004:EPP% }. \NAMECITE{{PDDG/PM3}}{% Repasky:2002:PPP,% Tubert-Brohman:2004:EPP% }. \NAMECITE{{PDE7}}{% Daga:2008:SPS% }. \NAMECITE{pea}{% Prabhakar:2003:CMR% }. \NAMECITE{penicillin}{% Massova:2002:PKM% }. \NAMECITE{penicillin-binding}{% Massova:2002:PKM% }. \NAMECITE{penicillins}{% Diaz:2003:CPP% }. \NAMECITE{pentacarbonylmanganese}{% Ponec:2005:CSA% }. \NAMECITE{{pentanes}}{% Barone:2001:NJC% }. \NAMECITE{{PEPCAT}}{% ODonohue:2000:PNT% }. \NAMECITE{Peptide}{% Adcock:2004:PBR,% Du:2007:PRD,% Hudaky:2001:PMX,% Jakli:2000:PMX,% Ono:2000:PFE,% Perczel:2003:PMX,% Barman:2009:IMM,% Bartels:2005:AFE,% Beke:2006:TRD,% Cao:2009:RDP,% Chandrasekhar:2001:EEC,% Cheng:2009:SSC,% Christianson:2000:ITC,% Clarke:2009:IAP,% Damm:2000:RPF,% Dardenne:2001:RFU,% Gil:2009:IIC,% Ikeda:2003:HHI,% Lee:2006:ABS,% Li:2001:TSS,% Massi:2003:SDA,% Mohle:2001:DPP,% Monticelli:2008:MSM,% Oakley:2005:LMP,% Ono:2002:CFF,% Perczel:2004:SIC,% Sun:2007:CSE,% Totrov:2004:AEG,% Wan:2004:LSM,% Williams:2001:IIFb,% Yang:2006:SPC,% Yasar:2000:MPC,% Zanuy:2003:TIP,% Zhang:2003:MCF,% Wang:2002:APP,% Kosmopoulou:2006:CEL% }. \NAMECITE{{peptide/HLA}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{{peptide/HLA-DQ8}}{% Kosmopoulou:2006:CEL% }. \NAMECITE{Peptides}{% Csontos:2008:RCA,% VanMourik:2008:CAB,% Anonymous:2006:EZX,% Basdevant:2004:SIS,% Beke:2004:FP,% Bultinck:2002:GPD,% Clarke:2008:TAP,% Donnini:2004:CAP,% Echenique:2008:EMC,% Hudaky:2004:SMI,% Iwaoka:2009:SFF,% Lee:2004:CSC,% Lin:2002:TSS,% Liu:2007:NCC,% Mayer:2000:CDC,% Moon:2006:CQC,% ODonohue:2000:PNT,% Okamoto:2009:CTC,% Ozawa:2008:CHB,% 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\NAMECITE{posteriori}{% Salvador:2001:EBI% }. \NAMECITE{potassium}{% Masetti:2008:MHP,% Meyer:2005:ISP% }. \NAMECITE{potential}{% Al-Matar:2004:GEM,% Alonso:2006:PMM,% Anglada:2001:EQR,% Anglada:2001:QRP,% Berente:2007:CEE,% Blomgren:2005:EPE,% Bofill:2001:RCQ,% Bucinsky:2009:REG,% Dixon:2005:QUS,% Du:2005:HML,% Du:2006:HML,% Duan:2001:ATC,% Freindorf:2005:LJP,% Fritsch:2008:TMD,% Hart:2000:ESB,% Hermida-Ramon:2003:IIP,% Hernandes:2003:CSL,% Hnizdo:2003:STI,% Ishida:2003:LIS,% Iwaoka:2003:SFF,% Jiao:2009:TLB,% Labello:2005:AEC,% Le:2001:ISC,% Liu:2008:EBO,% Makowska:2005:TCH,% Marun:2005:FCP,% Nakagawa:2007:PMP,% Netzloff:2004:FFD,% Nobeli:2001:EKB,% Paizs:2001:IBL,% Quapp:2001:CQR,% Rabone:2006:IPM,% Rajamani:2003:IAU,% Rurainski:2009:CLS,% Russo:2000:TDE,% Salvador:2001:EBI,% Sauer:2000:CQM,% Schlegel:2003:EPE,% Schlund:2008:CAA,% Sherrill:2009:ASF,% Siegert:2007:GDP,% Slipchenko:2007:EEE,% Smith:2002:RQC,% Sun:2009:APE,% Tan:2009:AER,% Tappura:2000:NSC,% Walker:2008:IFA,% Walsh:2009:MBW,% Wang:2000:HWD,% Wroblewska:2007:CPB,% Yoshida:2006:NMD,% Yu:2006:TSS,% Zarzycki:2004:SPA,% Zhang:2007:EPW,% Zhang:2008:EPW,% Zhu:2006:IPE% }. \NAMECITE{potential-derived}{% Tan:2009:AER% }. \NAMECITE{potentials}{% Anjima:2007:RMC,% Chao:2009:MDS,% Concu:2009:CCS,% Crosby:2009:IDN,% Dominy:2002:INL,% Field:2000:DLM,% Fuchs:2006:NMP,% Galstyan:2009:ARP,% Grimwood:2003:WFD,% Han:2004:FPP,% Hayryan:2001:MPS,% Huang:2006:IKBa,% Iwaoka:2009:SFF,% Kim:2004:PPP,% Kim:2008:PDS,% Kuznetsova:2001:VAP,% Lee:2007:IAH,% Lee:2009:BHR,% Lovallo:2003:DNP,% Lovallo:2004:IMC,% Luder:2009:SPD,% Marun:2005:FCP,% Meller:2002:MFG,% Olano:2005:FCN,% Politzer:2003:EPC,% Reith:2003:DEM,% Rico:2004:EPF,% Sanchez:2000:SEM,% Slepoy:2007:SGO,% Vilar:2008:QMA,% deSancho:2008:EMC% }. \NAMECITE{Powder}{% Hageman:2003:PPI,% Habershon:2003:DMP,% deGelder:2001:GES% }. \NAMECITE{powerful}{% Pierce:2000:CSM% }. \NAMECITE{pp}{% Bickelhaupt:2009:BRB,% Lipkowitz:2000:BRB,% Stanton:2000:BRB% }. \NAMECITE{{PQS}}{% Baker:2009:QCP% }. \NAMECITE{{PR}}{% Arenas:2009:PAB,% Vilar:2007:IDS% }. \NAMECITE{Practical}{% Beuve-Mery:2001:PAC,% Parsons:2005:PCT,% Woods:2001:BRB,% Young:2011:CCP,% Blondel:2004:EVF,% Schlegel:2003:EPE,% Schwarzl:2005:NCS,% Song:2004:PVB,% Wang:2003:PEM% }. \NAMECITE{precalculated}{% Zhang:2009:AFE% }. \NAMECITE{preceding}{% Coutsias:2005:RSL% }. \NAMECITE{Precise}{% Amisaki:2000:PEE,% Aragon:2004:PBE% }. \NAMECITE{precision}{% Carlsson:2003:IPE,% Gillan:2008:HPC% }. \NAMECITE{precursors}{% Claes:2003:TSI,% Claes:2004:TSI,% Davis:2008:MMP% }. \NAMECITE{predict}{% Hu:2008:USV,% Huang:2006:IKBa,% Huang:2006:IKBb,% Lin:2007:UPA,% Page:2006:CMP,% Perez-Jimenez:2007:MMW,% Xiao:2006:UPA,% Xiao:2008:UGD,% Yuan:2004:SSV% }. \NAMECITE{Predicted}{% Perera:2002:PSS,% Isayev:2007:TCC,% Jiang:2002:CPE,% Ke:2006:SVC,% Wojciechowski:2002:DSL,% Zhan:2009:CPN,% Zhu:2006:IPE% }. \NAMECITE{Predicting}{% Das:2009:PPV,% Derreumaux:2000:PHH,% Luman:2001:PAC,% Zacharias:2003:PSM,% Ahmad:2003:DTN,% Cai:2002:SVM,% Cuadrado:2007:QMB,% Inada:2008:ENB,% Kinoshita:2002:MPA,% Xiao:2009:GCC% }. \NAMECITE{Prediction}{% Arenas:2009:PAB,% Cai:2003:PPS,% Chen:2008:PPS,% Chen:2009:PIM,% Delgado:2001:PID,% Eckert:2009:PAA,% Falzon:2006:PSC,% Golmohammadi:2009:POW,% Jiang:2009:PPF,% Kim:2004:PPP,% Kim:2008:PDS,% Klamt:2002:PAS,% Klepeis:2003:PST,% Kuhn:2004:PPS,% Leong:2009:PHC,% Nantasenamat:2007:PGS,% Olson:2008:PPL,% Schuurmann:2000:PHL,% Yang:2009:PAC,% Yu:2007:PRI,% Almlof:2004:BAP,% Ball:2002:ENA,% Chen:2009:MCI,% Christianson:2000:ITC,% Djurdjevic:2006:IPF,% Eckert:2006:APB,% Gianese:2006:CPI,% Gromiha:2004:NNB,% Hardin:2002:FFK,% Hemmateenejad:2006:APB,% Huang:2008:APP,% Kan:2009:TPR,% Karamertzanis:2005:ICS,% Katagiri:2008:IPS,% Keil:2004:PRS,% Kieseritzky:2008:IPC,% Kim:2008:APL,% Kim:2009:CSP,% Klepeis:2002:IPH,% Latek:2007:PSP,% Li:2009:NMP,% Linnolahti:2001:GPB,% Liu:2009:APT,% Luder:2009:SPD,% Marabotti:2008:EBP,% Motoki:2004:NRS,% Nanias:2005:PSP,% Niu:2009:HPC,% Porwal:2007:PSP,% Qiu:2009:USV,% Rosso:2008:ICS,% Takahashi:2001:TPV,% Tappura:2000:NSC,% Totrov:2004:AEG,% Vilar:2008:QMA,% Wang:2001:APP,% Wang:2002:APP,% Wittayanarakul:2008:APP,% Wu:2009:APH,% Zou:2009:HPQ,% Alcaro:2007:QFA,% Grazioso:2008:ANA,% Kosmopoulou:2006:CEL,% Zarzycki:2004:SPA% }. \NAMECITE{predictions}{% Betancourt:2001:FNH,% Butler:2009:TAR,% Clarke:2008:TAP,% Ruvinsky:2007:RBE,% VanEijck:2002:CSP,% Zheng:2009:STC,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb% }. \NAMECITE{predictor}{% Kolafa:2004:TRA% }. \NAMECITE{preface}{% Frenking:2001:EP% }. \NAMECITE{preferences}{% Gil:2009:IIC,% Kang:2009:CPM,% Lee:2004:CSC% }. \NAMECITE{preferred}{% Dennis:2002:SSO% }. \NAMECITE{preliminary}{% Kalat:2002:QPG,% Pisani:2008:PLM% }. \NAMECITE{Preprocessing}{% Shah:2004:PRP% }. \NAMECITE{prerequisite}{% Wittayanarakul:2008:APP% }. \NAMECITE{presence}{% Leon:2002:IPS,% Ramirez-Anguita:2009:FPDa% }. \NAMECITE{present}{% Gillespie:2007:EGL% }. \NAMECITE{{Presentation}}{% Rudolph:2005:AECa% }. \NAMECITE{preserving}{% Queyroy:2009:NEE% }. \NAMECITE{pressure}{% Carpenter:2002:CPC,% Mediavilla:2009:MHP% }. \NAMECITE{pressures}{% Togo:2008:FPL% }. \NAMECITE{primary}{% Hamaneh:2009:RPH,% Jiang:2009:PPF,% Kuttel:2002:CSS% }. \NAMECITE{primitive}{% Manninen:2006:SGB% }. \NAMECITE{principle}{% Gao:2008:EFP,% Putz:2004:AHP,% Zhan:2005:FPS% }. \NAMECITE{principles}{% Cioslowski:2001:FPC,% Evarestov:2008:FPD,% Gillessen:2009:CSF,% Han:2004:FPP,% Huang:2009:FPC,% Kim:2008:CNG,% Molina:2003:IED,% Togo:2008:FPL,% Voloshina:2008:CPC,% Wang:2005:RBA,% Wang:2009:FPS,% Wolff:2008:FPM,% Zhang:2009:FPC,% Zhao:2009:FPI% }. \NAMECITE{prion}{% Ishikawa:2009:TSP% }. \NAMECITE{priori}{% Salvador:2001:EBI% }. \NAMECITE{prismatic}{% Wang:2009:NBT% }. \NAMECITE{probabilistic}{% Porwal:2007:PSP% }. \NAMECITE{probabilities}{% Dirks:2004:ACN% }. \NAMECITE{probability}{% Chamorro:2003:EPD,% Dai:2006:NCD,% Gallegos:2005:MPD,% Knight:2000:RPD,% Sakuraba:2009:MMT,% Scemama:2007:MPD% }. \NAMECITE{probe}{% Chelli:2008:RSD,% Dixon:2005:QUS,% Tantillo:2002:TSD,% Vaiana:2003:MMF% }. \NAMECITE{Probing}{% Periole:2009:PFE,% Walker:2007:CBS% }. \NAMECITE{problem}{% Anglada:2001:EQR,% Anglada:2001:QRP,% Anonymous:2006:EFS,% Bofill:2001:RCQ,% Cassam-Chenai:2006:VMF,% Hong:2009:ROP,% Quapp:2001:CQR,% Studt:2006:TSM,% Tew:2007:ECM,% Xu:2000:UFS% }. \NAMECITE{problem-size}{% Hong:2009:ROP% }. \NAMECITE{Problems}{% Young:2011:CCP,% Altman:2009:ASM,% Matta:2003:AQT,% Visscher:2002:DEQ,% Woods:2001:BRB% }. \NAMECITE{Procacci}{% Anonymous:2006:EMC% }. \NAMECITE{procedure}{% Addicoat:2009:KCS,% Bathe:2003:IMC,% Curco:2007:CGP,% DiBenedetto:2000:NPE,% Gianese:2006:CPI,% Koslowski:2003:IGM,% Rotkiewicz:2008:FPR,% Shepard:2002:RCE,% Spiegel:2008:PAB,% Yasar:2000:MPC,% Zhou:2006:RCP% }. \NAMECITE{procedures}{% Gautier:2003:CAS,% Hemmateenejad:2004:AIT% }. \NAMECITE{process}{% Burda:2005:HPA,% Li:2009:CTP,% Moskaleva:2000:UID,% Pacios:2006:CSP% }. \NAMECITE{processes}{% Chesnut:2001:LFS,% Goette:2009:ACF,% Kovalyov:2008:SSP,% Lorenz:2007:DDS% }. \NAMECITE{processing}{% Alcaro:2000:QFA,% Alcaro:2007:QFA,% Friedrichs:2009:AMD% }. \NAMECITE{processor}{% Luttmann:2009:AMD,% Yasuda:2008:TEI% }. \NAMECITE{processors}{% Stone:2007:AMM% }. \NAMECITE{{Producing}}{% Kuttel:2002:CSS% }. \NAMECITE{product}{% Sousa:2007:TSF,% Yang:2008:TSR,% Yang:2009:TSR% }. \NAMECITE{production}{% Yang:2009:TSG% }. \NAMECITE{products}{% Kan:2007:TIP,% Liu:2005:SCP% }. \NAMECITE{{PROFASI}}{% Irback:2006:PMC% }. \NAMECITE{profile}{% Beran:2003:ICE,% Chavez:2004:ICE,% Corcho:2004:CAC,% Greene:2002:ICE,% Ono:2000:PFE,% Zhou:2006:RCP% }. \NAMECITE{profiles}{% Auer:2002:BSC,% Cruz-Monteagudo:2008:DBM,% Oberhofer:2009:EEF,% Yang:2007:FEP% }. \NAMECITE{program}{% Alfonso:2003:FNE,% Brooks:2009:CBS,% Bultinck:2002:GPD,% Darrigan:2003:IFF,% Girones:2001:TMS,% Glykos:2006:SNU,% Goncalves:2004:NAH,% Inaba:2007:DPD,% Kliesch:2001:EEP,% Kong:2000:QCH,% Malcolm:2003:IAL,% Musch:2006:DMN,% Pang:2001:ECP,% Pristovsek:2002:SSS,% Qian:2001:NPO,% Rog:2003:MPP,% Smedarchina:2001:DPC,% Song:2005:XPI,% Tsodikov:2002:NCP,% Umeda:2009:PFM,% VanDamme:2007:NCP,% Volkov:2009:BSD,% Zerara:2008:PCP,% Banks:2005:IMP,% Biegler-Konig:2002:UAP% }. \NAMECITE{programmable}{% Ganesh:2009:MSC% }. \NAMECITE{programming}{% Slepoy:2007:SGO% }. \NAMECITE{programs}{% Case:2005:ABS,% Kim:2008:APL,% Martin:2009:CMG,% Salek:2007:SCP% }. \NAMECITE{projection}{% Frankcombe:2000:SUM,% Gotz:2005:OAB,% Gregersen:2006:CSI,% Quapp:2004:RPP,% Tsuchimochi:2008:ASS% }. \NAMECITE{projector}{% Maul:2007:DSU% }. \NAMECITE{projector-augmented}{% Maul:2007:DSU% }. \NAMECITE{prokaryotes}{% Wu:2006:DDS% }. \NAMECITE{prolapse}{% Haiduke:2005:ARU,% Haiduke:2006:ARAa,% Haiduke:2006:ARAb,% Tatewaki:2003:GTF% }. \NAMECITE{proline}{% Benzi:2002:QMS,% Kang:2009:CPM% }. \NAMECITE{promising}{% Jemmis:2001:CCC% }. \NAMECITE{promolecular}{% Leherte:2006:SMB% }. \NAMECITE{promolecule}{% Mitchell:2000:MSP% }. \NAMECITE{promoted}{% Simpson:2009:MSA% }. \NAMECITE{promotion}{% Khoroshun:2007:ERO% }. \NAMECITE{propagator}{% Storchi:2009:IUD% }. \NAMECITE{propanal}{% Rungnim:2005:DFS% }. \NAMECITE{propanone}{% Rungnim:2005:DFS% }. \NAMECITE{propargyl}{% Le:2001:ISC% }. \NAMECITE{propellanes}{% Polo:2007:NIB% }. \NAMECITE{propenal}{% Fores:2000:TCI% }. \NAMECITE{propene}{% Brana:2003:TAM% }. \NAMECITE{properties}{% Adamo:2000:SPL,% Alkorta:2003:CED,% Angyan:2003:OTO,% Aragon:2004:PBE,% Aschi:2004:CFE,% Babu:2003:IQO,% Barone:2009:HMD,% Benassi:2000:CBS,% Benkova:2005:RSP,% Borras-Almenar:2001:SNU,% Camiletti:2008:GBS,% Carbo-Dorca:2009:NQSa,% Carbo-Dorca:2009:NQSb,% Chandra:2008:BSC,% Chao:2009:MDS,% Chelli:2008:RSD,% Chen:2007:SEO,% Cheng:2002:CPC,% Chidthong:2007:ESP,% Cossi:2003:ESE,% Cui:2008:SSE,% Cuny:2008:DCQ,% Daga:2008:SPS,% Dai:2008:ESO,% Dardenne:2001:RFU,% DeProft:2003:HPE,% Dehareng:2000:HFI,% Devereux:2009:TIF,% Diaz:2003:CPP,% Du:2007:PRD,% English:2003:SDP,% Exner:2003:IQP,% Faulon:2001:SGC,% Filizola:2001:GPP,% Ganesh:2008:WWI,% Huang:2009:ESO,% Hudaky:2001:PMX,% Jakli:2000:PMX,% Ju:2005:SEH,% Jug:2008:IID,% Khandogin:2000:ESP,% Kim:2004:PPP,% Kim:2007:CVM,% Kirtman:2000:ETE,% Kristyan:2009:IPT,% Kritayakornupong:2009:SDP,% Kurtulus:2006:ESC,% Kuta:2006:PDM,% Kuznetsova:2001:VAP,% Li:2007:EPT,% Li:2007:SEP,% Liu:2006:MCH,% Liu:2007:SEO,% Liu:2009:APT,% Lopez-Martinez:2009:TSE,% Manninen:2006:SGB,% Mishra:2002:ITS,% Miura:2009:ITT,% Nakamura:2006:TPA,% Nantasenamat:2007:PGS,% Nifosi:2007:VSS,% Oakes:2005:RSP,% Oncak:2008:ESP,% Patel:2004:CFCb,% Patra:2004:SCF,% Pendas:2007:CFR,% Pomelli:2001:SAT,% Preuss:2004:GES,% Price:2001:GPL,% Rodriguez:2009:EGB,% Schluttig:2008:CMD,% Skowronek:2000:WDC,% Tang:2001:EIC,% Tang:2001:ICS,% Torii:2002:ICM,% Tsipis:2007:GFE,% Upadhyay:2003:ISM,% VanDamme:2009:CDP,% Volkov:2009:BSD,% Voloshina:2008:CPC,% Wang:2005:RBA,% Wassenaar:2006:EBS,% Wu:2005:TSN,% Yang:2005:TSE,% Zhang:2001:CRE,% Zhang:2009:FPC,% Zhong:2008:TSP,% Zhu:2008:ISE,% Zwier:2007:HMD,% Zyubin:2009:QCM% }. \NAMECITE{properties-based}{% VanDamme:2009:CDP% }. \NAMECITE{property}{% Buttingsrud:2007:VCP,% Jiang:2003:NTI,% Niu:2009:HPC,% Poater:2009:MSP% }. \NAMECITE{propylene}{% Qu:2004:DFI,% Rungnim:2005:DFS% }. \NAMECITE{propynyl}{% Lee:2009:SEE% }. \NAMECITE{prosthetic}{% Autenrieth:2004:CFF% }. \NAMECITE{protease}{% Bartels:2005:AFE,% Cai:2002:SVM,% David:2000:CGB,% Liu:2005:SCP,% Niu:2009:HPC,% Sirois:2003:DFS,% Suresh:2008:RSW,% Wittayanarakul:2008:APP% }. \NAMECITE{protease-inhibitor}{% Suresh:2008:RSW% }. \NAMECITE{Protein}{% Latek:2007:PSP,% Nanias:2005:PSP,% Porwal:2007:PSP,% Agostini:2006:GSA,% Alhambra:2000:HBI,% Apgar:2009:CEM,% Ball:2002:ENA,% Barthe:2002:HMP,% Becue:2004:EPS,% Betancourt:2001:FNH,% Bhat:2006:CAC,% Bindewald:2005:SFD,% Bui:2007:WAM,% Busch:2008:CPD,% Cahill:2003:KPF,% Cai:2002:SVM,% Cai:2003:PPS,% Cao:2009:RDP,% Chang:2009:ISV,% Chen:2005:ATA,% Chen:2007:SSO,% Chen:2008:PPS,% Chen:2009:MCI,% Chen:2009:PIM,% Chiu:2008:SEF,% Chowdry:2007:OOL,% Concu:2009:CCS,% Cortes:2004:GAC,% Das:2003:EEG,% DeSancho:2005:EMA,% Djurdjevic:2006:IPF,% Dominy:2002:INL,% Eom:2007:CGP,% Feig:2004:PCG,% Formaneck:2006:UGB,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Georgiev:2008:MDE,% Ghulghazaryan:2007:ECW,% Gillilan:2004:ODP,% Gohlke:2004:CFE,% Gonzalez-Diaz:2007:CCC,% Gonzalez-diaz:2007:CCA,% Gordon:2003:ERO,% Gront:2007:BBQ,% Grosdidier:2009:BDP,% Guvench:2004:EAA,% Hardin:2002:FFK,% Hasegawa:2007:ESG,% Hassinen:2001:NET,% Hofinger:2001:DRP,% Hom:2006:SAF,% Hong:2009:ROP,% Huang:2005:AFF,% Huang:2005:IHM,% Huang:2006:IKBa,% Huang:2006:IKBb,% Huang:2008:APP,% Huang:2009:CSP,% Hudaky:2005:TDD,% Im:2009:NFE,% Irback:2006:PMC,% Ishikawa:2009:TSP,% Iwaoka:2003:SFF,% Jagielska:2007:ITF,% Jayaram:2002:FEC,% Jiang:2009:PPF,% Karney:2005:MCP,% Katagiri:2008:IPS,% Kazmierkiewicz:2002:EBR,% Ke:2006:SVC,% Kiyota:2009:MQM,% Kolossvary:2001:HFL,% Komeiji:2007:CPE,% Koskowski:2005:TPF,% Kruger:2008:ECS,% Leaver-Fay:2007:MSA,% Lee:2006:ABS,% Lee:2008:RES,% Leherte:2008:CMR,% Lei:2004:SPC,% Li:2009:NMP,% Lin:2007:UPA,% Liu:2006:RPS,% Mackerell:2004:ETB,% Mancera:2004:LPD,% Martineau:2004:BFD,% Meinke:2009:FED,% Meirovitch:2002:PCP,% Meller:2002:MFG,% Milgram:2008:SIK,% Mohle:2001:DPP,% Murphy:2000:MQM,% Nobeli:2001:EKB,% Olson:2008:PPL,% Omori:2009:LRT,% Page:2006:CMP,% Parsons:2005:PCT,% Perczel:2000:TDD,% Perczel:2003:TDD% }. \NAMECITE{protein}{% Poulain:2008:IPD,% Prabhakar:2005:CSV,% Price:2002:MPF,% Pristovsek:2006:SAP,% Project:2008:PCP,% Qiu:2009:USV,% Rathinavelan:2008:NSD,% Rey-Stolle:2009:TBM,% Robertson:2008:ELR,% Rotkiewicz:2008:FPR,% Ruvinsky:2005:NFS,% Ruvinsky:2007:RBE,% Shah:2004:PRP,% Shien:2009:ISC,% Sims:2004:COI,% Sims:2005:RCD,% Sinnecker:2006:QMC,% Soderhjelm:2009:CDC,% Song:2009:MIP,% Suarez:2008:POC,% Sun:2006:CIS,% Tappura:2000:NSC,% Tuffery:2005:IGA,% Vasilkoski:2000:GPF,% Vasilkoski:2004:DCM,% Verma:2007:AAN,% Vilar:2008:QMA,% Villar:2005:ALP,% Vizcarra:2008:IPD,% Wada:2005:QCM,% Wroblewska:2007:CPB,% Xiang:2004:FQM,% Xiao:2006:UPA,% Xiao:2008:UGD,% Xiao:2009:GCC,% Yang:2004:DEG,% Yang:2006:GAP,% Yanover:2007:DEE,% Yoon:2009:MMM,% Yoshioki:2002:DPW,% Zagrovic:2003:SVD,% Zhang:2001:SMP,% Zhang:2004:SCA,% Zhang:2008:REE,% Zhou:2009:DNI,% Zoete:2006:IIS,% deSancho:2008:EMC,% Hofto:2009:IAT,% Patel:2004:CFCb,% Zhou:2009:GSB% }. \NAMECITE{protein-{DNA}}{% Poulain:2008:IPD% }. \NAMECITE{protein-environment}{% Hasegawa:2007:ESG% }. \NAMECITE{protein-ligand}{% Li:2009:NMP,% Ruvinsky:2005:NFS% }. \NAMECITE{protein-tyrosine}{% Alhambra:2000:HBI% }. \NAMECITE{{Protein}/solvent}{% Patel:2004:CFCb% }. \NAMECITE{proteinogenic}{% Iwaoka:2009:SFF% }. \NAMECITE{Proteins}{% Loksha:2009:SSH,% Ahmad:2003:DTN,% Anonymous:2006:EZX,% Basdevant:2004:SIS,% Bosch:2003:BPM,% Busa:2009:ETM,% Comba:2002:NMM,% Dardenne:2001:RFU,% Das:2003:PHM,% DeSancho:2007:ECG,% Dennis:2002:SSO,% Donnini:2004:CAP,% Doruker:2002:DLP,% Duan:2003:PCF,% Elezgaray:2000:MDP,% Eyal:2004:ISA,% Fuchs:2006:NMP,% Gromiha:2004:NNB,% Hamaneh:2009:RPH,% Hayryan:2001:MPS,% Henchman:2002:EHS,% Hofinger:2001:DRP,% Horng:2003:CMC,% Hu:2008:USV,% Hudaky:2001:PMX,% Ikeguchi:2004:PRB,% Iori:2009:GAF,% Ito:2001:RPE,% Kaminski:2002:DPF,% Klimov:2002:TUM,% Kuhn:2004:PPS,% Laederach:2003:SEF,% Lee:2006:ABS,% Luman:2001:PAC,% Massova:2002:PKM,% Matsuura:2006:AEA,% Mor:2008:SPI,% Nifosi:2007:VSS,% Ohno:2006:LSM,% Okur:2003:UPC,% Ozkan:2004:CSP,% Patel:2004:CFCa,% Patel:2004:CFCb,% Pristovsek:2002:SSS,% Rohrig:2009:DHP,% Ryde:2002:QCG,% Sakharov:2009:FFI,% Scheraga:2002:EPB,% Schreiber:2005:EEL,% Schwarzl:2005:NCS,% Suresh:2009:TAN,% Vila:2009:PDF,% Wang:2006:SBO,% Wassenaar:2006:EBS,% Wennmohs:2005:DMM,% Wu:2006:DDS,% Xie:2005:EEG% }. \NAMECITE{{Protocol}}{% Alcaro:2000:QFA% }. \NAMECITE{Proton}{% Swart:2006:PAM,% Alagona:2003:IMS,% Balata:2003:SEG,% Balata:2004:ESE,% Chen:2009:EMI,% Fores:2000:TCI,% Frison:2008:CSS,% Gao:2008:CQM,% Herzog:2006:EBP,% Lammers:2008:RFF,% Lamsabhi:2009:MDP,% Li:2005:DPT,% Mobli:2005:QVC,% Pacios:2006:VAC,% Pelmenschikov:2004:CRR,% Shi:2006:DEP,% Wang:2001:APP,% Wang:2002:APP,% Xue:2005:DSM,% Zarzycki:2004:SPA,% deSouza:2000:CPA% }. \NAMECITE{proton-coupled}{% Chen:2009:EMI% }. \NAMECITE{protonated}{% Chandra:2008:BSC,% Zhan:2005:FPS% }. \NAMECITE{protonation}{% Bachler:2005:BTM,% Cummins:2005:CMS,% Das:2003:EEG,% Hudaky:2005:TDD,% Kan:2007:TIP,% Wittayanarakul:2008:APP,% Xie:2005:EEG% }. \NAMECITE{protoporphyrinogen}{% Wan:2004:QSA% }. \NAMECITE{prototype}{% Angeli:2009:NIE,% Cioslowski:2001:FPC,% Alves-Santos:2006:ASD% }. \NAMECITE{prototypes}{% Sherrill:2009:ASF% }. \NAMECITE{proximity}{% Agrafiotis:2003:SPE% }. \NAMECITE{pruning}{% Turner:2003:SDP% }. \NAMECITE{pseudo}{% Lin:2007:UPA,% Venkatesan:2006:JTP,% Xiao:2006:UPA,% Xiao:2008:UGD% }. \NAMECITE{pseudo-{Jahn}}{% Venkatesan:2006:JTP% }. \NAMECITE{pseudofolding}{% Vilar:2008:QMA% }. \NAMECITE{pseudoknots}{% Dirks:2003:PFA,% Dirks:2004:ACN% }. \NAMECITE{{Pseudomonas}}{% Nakamura:2009:RKD% }. \NAMECITE{Pseudopericyclic}{% Lopez:2007:PDD% }. \NAMECITE{pseudopotential}{% Flores-Moreno:2006:HNE,% Lovallo:2003:DNP,% Valderrama:2003:EPA,% vanWullen:2006:NIC% }. \NAMECITE{pseudopotentials}{% Preuss:2004:GES,% Pulay:2005:AEA,% Stoll:2002:REC% }. \NAMECITE{{PSI3}}{% Crawford:2007:POS% }. \NAMECITE{psoralen}{% Nakata:2004:ETS,% Nakata:2004:TSE% }. \NAMECITE{Pt}{% Dobrogorskaia-Mereau:2005:QCM,% Lee:2008:AES,% Liu:2002:CRI,% Rocha:2000:CIR% }. \NAMECITE{{PtCl}}{% Liu:2002:CRI% }. \NAMECITE{{PtF}}{% Liu:2002:CRI% }. \NAMECITE{{PtH}}{% Liu:2002:CRI% }. \NAMECITE{Pu}{% Han:2001:DFS% }. \NAMECITE{{Publisher}}{% Anonymous:2004:PNSa,% Anonymous:2004:PNSb% }. \NAMECITE{pump}{% Chelli:2008:RSD% }. \NAMECITE{pump-probe}{% Chelli:2008:RSD% }. \NAMECITE{{PUPIL}}{% Torras:2008:VAG% }. \NAMECITE{Pure}{% Widjaja:2002:PCS,% Rudolph:2005:AECa,% Sefcik:2002:DCE,% Stashans:2008:ESC% }. \NAMECITE{purpose}{% Donchev:2008:APG,% Johnston:2005:FBD,% Kikugawa:2009:AMS% }. \NAMECITE{Putting}{% Munoz:2004:PEB% }. \NAMECITE{{pVDZ}}{% Wiberg:2004:BSE% }. \NAMECITE{pVTZ//MP2/6}{% Wang:2004:SEA% }. \NAMECITE{{PW}}{% Evarestov:2008:FPD% }. \NAMECITE{{PyFrag}}{% VanZeist:2008:PSY% }. \NAMECITE{pyrazine}{% Li:2007:TSV% }. \NAMECITE{pyrazole}{% Du:2005:HML% }. \NAMECITE{pyrazoline}{% Lim:2006:TST% }. \NAMECITE{pyrazolyl}{% Harman:2005:CDD% }. \NAMECITE{pyrene}{% Hirama:2003:PMH% }. \NAMECITE{pyridine}{% Chidthong:2007:ESP,% Harman:2005:CDD% }. \NAMECITE{pyridines}{% Waller:2006:HDF% }. \NAMECITE{pyridoxal}{% Liao:2008:TSP,% Prabhakar:2005:CSV% }. \NAMECITE{pyrimidine}{% Li:2007:TSV,% Xie:2008:EEA% }. \NAMECITE{pyrimidinyl}{% Wu:2008:TSH% }. \NAMECITE{pyrolysis}{% Kim:2007:EEG,% Xue:2003:TSG% }. \NAMECITE{pyrope}{% Zicovich-Wilson:2008:ISI% }. \NAMECITE{{Pyruvate}}{% Condic-Jurkic:2008:MAB% }. \NAMECITE{{pyVib}}{% Zerara:2008:PCP% }. \NAMECITE{{Q}}{% Brylinski:2008:QDL,% Kong:2000:QCH,% Woodcock:2007:IQC% }. \NAMECITE{{Q-Chem}}{% Woodcock:2007:IQC,% Kong:2000:QCH% }. \NAMECITE{{Q-Dock}}{% Brylinski:2008:QDL% }. \NAMECITE{{QCISD}}{% Zhao:2007:CDQ% }. \NAMECITE{{QCT}}{% Devereux:2009:TIF% }. \NAMECITE{QM}{% Cho:2005:IAC,% Murphy:2000:MQM,% Alagona:2003:IMS,% Altun:2006:SQM,% Anisimov:2009:QQD,% Cho:2009:EQM,% Cummins:2005:CMS,% Ferre:2002:SFF,% Fornili:2006:SSL,% Freindorf:2005:LJP,% Gao:2008:CQM,% Gooding:2000:FPQ,% Hall:2000:AHQ,% Harvey:2006:QMM,% Herrmann:2008:QMV,% Hofer:2005:SBE,% Hopkins:2003:MAI,% Hori:2003:HQM,% Infante:2004:QMS,% Infante:2006:QMS,% Intharathep:2005:SDH,% Intharathep:2006:IQM,% Kiyota:2009:MQM,% Kover:2009:CNT,% Kritayakornupong:2004:SDC,% Kritayakornupong:2008:JTE,% Kritayakornupong:2009:SDP,% Loferer:2003:QMI,% Marechal:2000:TMH,% Massova:2002:PKM,% Matsuura:2006:AEA,% Mo:2000:IQM,% Molina:2003:IED,% Nemukhin:2003:FEF,% Rajamani:2002:CQM,% Santos:2006:QQS,% Sgrignani:2009:IDS,% Sinnecker:2006:QMC,% Spiegel:2008:PAB,% Suresh:2008:RSW,% Takahashi:2001:HQM,% Torras:2008:VAG,% Vreven:2003:GOQ,% Walker:2008:IFA,% Woodcock:2007:IQC,% Wu:2008:QMS,% Zheng:2009:ITS% }. \NAMECITE{{QM/FE}}{% Alagona:2003:IMS% }. \NAMECITE{QM/MM}{% Cho:2005:IAC,% Murphy:2000:MQM,% Altun:2006:SQM,% Cho:2009:EQM,% Cummins:2005:CMS,% Ferre:2002:SFF,% Fornili:2006:SSL,% Freindorf:2005:LJP,% Gao:2008:CQM,% Gooding:2000:FPQ,% Hall:2000:AHQ,% Harvey:2006:QMM,% Herrmann:2008:QMV,% Hofer:2005:SBE,% Hori:2003:HQM,% Infante:2004:QMS,% Infante:2006:QMS,% Intharathep:2005:SDH,% Intharathep:2006:IQM,% Kiyota:2009:MQM,% Kritayakornupong:2004:SDC,% Kritayakornupong:2008:JTE,% Kritayakornupong:2009:SDP,% Marechal:2000:TMH,% Matsuura:2006:AEA,% Mo:2000:IQM,% Molina:2003:IED,% Nemukhin:2003:FEF,% Rajamani:2002:CQM,% Sgrignani:2009:IDS,% Sinnecker:2006:QMC,% Spiegel:2008:PAB,% Suresh:2008:RSW,% Takahashi:2001:HQM,% Torras:2008:VAG,% Vreven:2003:GOQ,% Walker:2008:IFA,% Woodcock:2007:IQC,% Wu:2008:QMS,% Zheng:2009:ITS% }. \NAMECITE{{QM/QM}}{% Anisimov:2009:QQD,% Hopkins:2003:MAI,% Santos:2006:QQS% }. \NAMECITE{{QMCF}}{% Pribil:2008:SDP% }. \NAMECITE{{Qmd}}{% Kalat:2002:QPG% }. \NAMECITE{{Qmd-plot}}{% Kalat:2002:QPG% }. \NAMECITE{{QMPFF3}}{% Donchev:2008:APG% }. \NAMECITE{{QMQSAR}}{% Dixon:2005:QUS% }. \NAMECITE{QSAR}{% Du:2008:MFT,% Du:2009:FBQ,% Sapre:2009:GCO,% Castillo-Garit:2008:BBC,% Cruz-Monteagudo:2008:DBM,% Cuadrado:2007:QMB,% Dixon:2005:QUS,% Du:2005:HML,% Gonzalez-Diaz:2008:UQN,% Hemmateenejad:2004:AIT,% Hemmateenejad:2009:AMA,% Li:2008:QSM,% Lin:2007:SVM,% Lu:2002:GTN,% Mitra:2009:QAP,% Patra:2009:ANN,% Shen:2004:HPS,% Turner:2003:SDP,% VanDamme:2007:NCP,% VanDamme:2009:CDP,% Vilar:2008:QMA,% Xi:2006:DGQ,% Zhou:2007:NSE% }. \NAMECITE{{QSAR-analysis}}{% VanDamme:2007:NCP% }. \NAMECITE{{QSAR/QSPR}}{% Turner:2003:SDP% }. \NAMECITE{QSPR}{% Carbo-Dorca:2009:NQSa,% Carbo-Dorca:2009:NQSb,% Carbo-Dorca:2009:NQSa,% Grohmann:2008:TRQ,% Hemmateenejad:2008:AQT,% Toropov:2009:QME,% Turner:2003:SDP,% Zhou:2007:NSE% }. \NAMECITE{{QSPR/QSAR}}{% Zhou:2007:NSE% }. \NAMECITE{{QTAIM}}{% Mandado:2007:QCD,% Rodriguez:2009:EGB% }. \NAMECITE{quadratic}{% Anglada:2001:EQR,% Anglada:2001:QRP,% Bofill:2001:RCQ,% Huang:2008:APP,% Quapp:2001:CQR,% Zou:2009:HPQ% }. \NAMECITE{quadrature}{% Chien:2006:SSS,% Duret:2008:SEI,% Gill:2003:RQM% }. \NAMECITE{quadrilaterals}{% Gront:2007:BBQ% }. \NAMECITE{quadrupolar}{% Cuny:2008:DCQ% }. \NAMECITE{quadrupole}{% Han:2006:DCM,% Holt:2008:EIQ,% Holt:2008:IQM% }. \NAMECITE{quality}{% Babu:2003:IQO,% Camiletti:2008:GBS,% Exner:2003:IQP,% Frickenhaus:2009:EES,% Jakalian:2000:FEG,% Jakalian:2002:FEG,% Sherrill:2009:ASF,% Torrent-Sucarrat:2007:QHK% }. \NAMECITE{quantifying}{% Gautier:2003:CAS% }. \NAMECITE{Quantitative}{% Mitrasinovic:2001:QCP,% Wan:2004:QSA,% Yang:2008:QCS,% Buttingsrud:2007:VCP,% Carbo-Dorca:2009:NQSa,% Carbo-Dorca:2009:NQSb,% Du:2008:MFT,% Du:2009:FBQ,% Grafton:2007:VFW% }. \NAMECITE{quantization}{% Geerke:2009:DCF% }. \NAMECITE{Quantum}{% Arnaud:2000:QMS,% Baker:2009:QCP,% Benzi:2002:QMS,% Blomberg:2006:QCA,% Dobrogorskaia-Mereau:2005:QCM,% Echenique:2006:QMC,% Estiu:2006:QMM,% Estrada:2004:QCD,% Fatmi:2007:QMC,% Levashov:2007:QCP,% Mercero:2000:QMC,% Mobli:2005:QVC,% Neugebauer:2002:QCC,% PereiraDaSilva:2002:QBP,% Raub:2007:QCI,% Ryde:2002:QCG,% Sherer:2001:QCC,% Siegbahn:2005:QCM,% Tielens:2000:QCC,% Vchirawongkwin:2007:QMM,% Zyubin:2009:QCM,% Alvarez-Ginarte:2008:APR,% Antony:2002:BDC,% Antony:2005:CTC,% Aquino:2003:AOS,% Aspuru-Guzik:2005:SAE,% Aspuru-Guzik:2005:ZPQ,% Borodin:2001:IQC,% Bultinck:2007:ALP,% Cacelli:2009:FFM,% Carbo-Dorca:2009:NQSa,% Chen:2007:SEO,% Constans:2002:LSA,% Crosby:2009:IDN,% Curutchet:2006:DRC,% DeMarothy:2007:EMR,% DelRio:2003:RMR,% Delgado:2001:PID,% Duan:2003:PCF,% Ewig:2001:DCI,% Feldmann:2008:MWB,% Ferenczy:2001:III,% Field:2000:DLM,% Fisher:2008:OIA,% Fossgaard:2006:SSM,% Fukuzawa:2005:IQM,% Galano:2001:OHA,% Garcia-Viloca:2003:HTC,% Gogtas:2008:TDQ,% Gould:2007:CIQ,% Greatbanks:2000:CEP,% Gresh:2004:CDI,% Hemmateenejad:2008:AQT,% Hudaky:2004:SMI,% Jongejan:2001:DHT,% Jurecka:2007:DFT,% Kaminski:2002:DPF,% Katagiri:2008:IPS,% Kenny:2008:CIE,% Khandogin:2000:ESP,% Koca:2003:CNZ,% Korchowiec:2009:ECT,% Li:2007:QCS,% Linnolahti:2001:GPB,% Mackerell:2004:ETB,% Malcolm:2003:ADI,% Malrieu:2007:EBE,% Mancera:2004:LPD,% Marti:2009:HQC,% Martin:2009:CMG,% Matta:2003:AQT,% Moon:2006:CQC,% Murphy:2000:MQM,% Oda:2005:NAF,% Ono:2002:CFF,% Piacenza:2004:SQC,% Piacenza:2007:CQC,% Poater:2001:PBL,% Pykavy:2007:SQC,% Rafat:2007:VIQ,% Reddy:2007:IQM,% Roux:2007:BPD,% Sabzyan:2007:EFE,% Salek:2007:SCP,% Sauer:2000:CQM,% Saunders:2004:SSI,% Schuurmann:2000:PHL,% Smedarchina:2001:DPC,% Smith:2002:RQC,% Titmuss:2002:CLS,% Tsipis:2002:MAD,% Vchirawongkwin:2007:TSS,% Visscher:2002:DEQ,% Volkov:2009:BSD,% Wada:2005:QCM% }. \NAMECITE{quantum}{% Wladkowski:2003:HCP,% Xi:2006:DGQ,% Xiang:2004:FQM,% Xiong:2008:DSP,% Zhang:2003:MCF,% Zheng:2007:CSS,% Zwier:2007:HMD,% Swart:2008:QQR,% Cho:2005:IAC,% Diaz:2003:CPP,% Kisowska:2008:SCB,% Pendas:2005:TEI,% Scemama:2007:MPD% }. \NAMECITE{quantum-chemical}{% Delgado:2001:PID,% Smedarchina:2001:DPC,% Volkov:2009:BSD,% Xi:2006:DGQ% }. \NAMECITE{Quantum-connectivity}{% Estrada:2004:QCD% }. \NAMECITE{{QUantum}-regions}{% Swart:2008:QQR% }. \NAMECITE{quartet}{% Meyer:2001:DFS% }. \NAMECITE{quartet/metal}{% Meyer:2001:DFS% }. \NAMECITE{quartets}{% Meyer:2001:DFS% }. \NAMECITE{quartic}{% Schuurman:2005:ILQ% }. \NAMECITE{quartz}{% Zicovich-Wilson:2004:CVF% }. \NAMECITE{Quasi}{% Alcaro:2007:QFA,% Nakano:2002:QDP,% Alcaro:2000:QFA,% Inaba:2005:AED,% Vetere:2003:CSQ,% Yoshizawa:2007:CFD% }. \NAMECITE{quasi-canonical}{% Inaba:2005:AED% }. \NAMECITE{Quasi-degenerate}{% Nakano:2002:QDP% }. \NAMECITE{quasi-flexible}{% Alcaro:2000:QFA% }. \NAMECITE{quasi-relativistic}{% Vetere:2003:CSQ,% Yoshizawa:2007:CFD% }. \NAMECITE{Quasirelativistic}{% Hada:2001:QSN% }. \NAMECITE{quaternary}{% Chaumont:2002:MQT,% Saito:2007:NMD% }. \NAMECITE{quaternions}{% Coutsias:2004:UQC,% Coutsias:2005:RSL,% Kneller:2005:CUQ% }. \NAMECITE{Quick}{% Larin:2007:QSE% }. \NAMECITE{{QUILD}}{% Swart:2008:QQR% }. \NAMECITE{{quinolines}}{% Kusama:2005:TSQ% }. \NAMECITE{quinoprotein}{% Jongejan:2001:DHT% }. \NAMECITE{quintet}{% Gu:2007:IGQ% }. \NAMECITE{R}{% Bofill:2001:RCQ,% Carballeira:2000:IIG,% Li:2009:ICB,% Lipkowitz:2000:BRB,% Quapp:2001:CQR,% Zhang:2001:CRE,% Li:2009:ICB,% Zanasi:2007:CDN% }. \NAMECITE{rack}{% Orzechowski:2002:TCC% }. \NAMECITE{Radial}{% Gill:2003:RQM,% El-Sherbiny:2004:ERP,% Kaupp:2007:RRN,% Knight:2000:RPD% }. \NAMECITE{Radical}{% Xie:2006:RRC,% Arnaud:2000:QMS,% Bil:2006:HRH,% Chandra:2000:KHA,% Chandra:2001:ROR,% Chandra:2003:ISS,% Chen:2009:EMI,% Gil:2009:IIC,% Hirama:2003:PMH,% Jin:2006:RMC,% Komaromi:2008:DGR,% Kumar:2004:TSS,% Lai:2007:COR,% Le:2001:ISC,% Norberg:2008:MRR,% Ohta:2004:IBC,% Tao:2001:TSR,% Wang:2006:GRM,% Wang:2006:TMS,% Wang:2007:TSM,% Wang:2009:DLD,% Wei:2007:TIE,% Wu:2003:DLD,% Xie:2006:YRM,% Yang:2009:TSR,% Zhang:2004:TSR,% Zhang:2005:TSR,% Zhang:2006:TMS,% Zhang:2009:TSR,% Chen:2009:EMI,% Qu:2003:DFI% }. \NAMECITE{radical-molecule}{% Zhang:2006:TMS% }. \NAMECITE{radicals}{% Bohm:2007:IER,% Dibble:2005:CXT,% Lee:2009:SEE,% Wang:2004:DID,% Wang:2007:TSM,% Wright:2009:SCC,% Yang:2008:TSR,% Yang:2009:TSR,% Zyubin:2003:PTD% }. \NAMECITE{radii}{% Onufriev:2002:EBR,% Politzer:2003:EPC% }. \NAMECITE{radon}{% Haiduke:2006:ARAb% }. \NAMECITE{{Raf}}{% Gohlke:2004:CFE% }. \NAMECITE{Ramachandran}{% Salisburg:2009:RTP,% Gil:2009:IIC,% Hudaky:2004:SMI,% Perczel:2003:PMX% }. \NAMECITE{Ramachandran-type}{% Salisburg:2009:RTP% }. \NAMECITE{{Raman}}{% Bour:2001:CRO,% Liegeois:2009:VRO,% Neugebauer:2002:QCC,% Oakes:2005:RSP,% Zerara:2008:PCP% }. \NAMECITE{{RAMSES}}{% Beuve-Mery:2001:PAC% }. \NAMECITE{random}{% Chen:2009:PRW,% Chen:2013:EPR,% Curco:2004:PSM,% He:2009:EPS,% Jagielska:2007:ITF% }. \NAMECITE{randomized}{% LaValle:2000:RKB% }. \NAMECITE{range}{% Cordomi:2007:EDT,% Gresh:2005:RZI,% Grimme:2006:SGT,% Hayes:2004:FFD,% Izrailev:2006:DGH,% Jacquemin:2008:RRB,% Kerber:2008:ASL,% Mark:2002:SDL,% Rafat:2007:LRB,% Robertson:2008:ELR,% Sandak:2001:MFS% }. \NAMECITE{range-separated}{% Jacquemin:2008:RRB% }. \NAMECITE{rank}{% Rafat:2007:LRB% }. \NAMECITE{ranked}{% Tan:2009:AER% }. \NAMECITE{ranking}{% Kontoyianni:2005:ELR% }. \NAMECITE{Rapid}{% Gill:2000:RET,% Rocchia:2002:RGB,% Bordner:2003:BES,% Grafton:2007:VFW,% Kalat:2002:QPG,% Kristyan:2001:FAC,% Wada:2005:QCM,% Petrella:2003:IMN% }. \NAMECITE{Rapidly}{% Ko:2002:RCL,% Zhou:2006:RCP% }. \NAMECITE{rare}{% Li:2009:ICB% }. \NAMECITE{{Ras}}{% Gohlke:2004:CFE% }. \NAMECITE{rate}{% Chuang:2007:CRC,% Gonzalez:2007:AERa,% Gonzalez:2007:AERb,% Ju:2009:GDT,% Masgrau:2003:DRC,% Novoselov:2002:CST,% Sheng:2004:TSR,% Smedarchina:2001:DPC,% Uchimaru:2003:IIR,% Wang:2005:TSR,% Wang:2007:TSR,% Wu:2002:DID,% Zagrovic:2003:SVD% }. \NAMECITE{rates}{% Huang:2008:APP,% Jiang:2009:PPF% }. \NAMECITE{Ratio}{% Li:2006:RCV,% Konig:2009:UUB% }. \NAMECITE{Rational}{% Chipot:2003:RDC,% Beke:2006:TRD,% Hamacher:2007:ITM,% Villar:2005:ALP% }. \NAMECITE{rationalized}{% Bachler:2005:BTM% }. \NAMECITE{rattle}{% Forester:1998:SRR,% Forester:2000:ESR% }. \NAMECITE{raw}{% Ryde:2002:QCG% }. \NAMECITE{ray}{% Higo:2001:CMM,% Higo:2002:HSH,% Watanabe:2001:CXR% }. \NAMECITE{Rb}{% Golebiowski:2002:RSC,% Gu:2007:IGQ,% Hofer:2005:SBE% }. \NAMECITE{Re}{% Lee:2008:RES% }. \NAMECITE{Re-examination}{% Lee:2008:RES% }. \NAMECITE{Reaction}{% Chandra:2001:ROR,% Jena:2008:RHA,% Jin:2006:RMC,% Kim:2008:RMD,% Milet:2006:RNS,% Quapp:2004:RPP,% Wang:2009:RMP,% Anglada:2001:EQR,% Anglada:2001:QRP,% Balucani:2001:GPD,% Bieniasz:2004:FOA,% Bofill:2001:RCQ,% Brana:2003:TAM,% Chandra:2003:ISS,% Cummins:2005:CMS,% DelCarmenMichelini:2004:ETA,% DelCarmenMichelini:2005:ETA,% Facchini:2003:CRB,% Gallicchio:2002:SNH,% Galvan:2008:IEN,% Gao:2008:CQM,% Gogtas:2008:TDQ,% He:2005:TSR,% Hirao:2008:RBO,% Horenko:2005:AAN,% Hori:2003:HQM,% Ito:2001:RPE,% Jongejan:2001:DHT,% Ju:2009:GDT,% Lamsabhi:2009:MDP,% Le:2001:ISC,% Li:2001:TSS,% Li:2004:CMTb,% Li:2004:DDS,% Liu:2002:TSMa,% Liu:2002:TSMb,% Liu:2009:COR,% Lu:2007:SSH,% Masgrau:2003:DRC,% Mo:2000:IQM,% Motoki:2004:NRS,% Muino:2005:OCR,% Novoselov:2002:CST,% Ohtsuka:2001:ETT,% Peiro-Garcia:2003:ISM,% Peiro-Garcia:2003:TIS,% Pomelli:2004:TIG,% Prabhakar:2003:CMR,% Prabhakar:2006:DSM,% Qu:2002:TSM,% Qu:2004:DFI,% Quapp:2001:CQR,% Quapp:2007:FTS,% Rocchia:2002:RGB,% Rocha:2000:CIR,% Rosta:2009:ARC,% Rulisek:2006:RMI,% Rungnim:2005:DFS,% Sheng:2004:IDD,% Sheng:2004:TSR,% Shi:2008:PSI,% Tamaoki:2005:STF,% Tao:2001:TSR,% Tejero:2007:PDS,% Torrent:2002:CSR,% Uchimaru:2003:IIR,% VanZeist:2008:PSY,% Wang:2001:TSP,% Wang:2006:GRM,% Wang:2007:TSR,% Wang:2008:DFS,% Woodcock:2007:IQC,% Xie:2006:RRC,% Yang:2008:DDS,% Yang:2009:TSG,% Zhang:2004:DLI,% Zhang:2004:TSR,% Zhang:2005:DLD,% Zhang:2005:TSR,% Zhang:2006:TMS,% Zhang:2006:TSM,% Zhang:2007:TSB,% Zhang:2008:TSO,% Zhang:2009:TSR,% delRio:2000:TSR% }. \NAMECITE{reaction-diffusion}{% Bieniasz:2004:FOA% }. \NAMECITE{reactions}{% Alabugin:2007:RGM,% Brana:2003:TAM,% Chandra:2000:KHA,% Claes:2003:TSI,% Field:2002:SER,% Galano:2001:OHA,% Galvan:2004:NML,% Geng:2008:TER,% Gonzalez:2007:AERa,% Gonzalez:2007:AERb,% Herzog:2006:EBP,% Hong:2000:CED,% Jena:2007:FNO,% Ji:2007:KMH,% Ji:2008:TDS,% Ju:2009:GDT,% Kan:2007:TIP,% Komeiji:2009:FMO,% Lamprecht:2000:MMF,% Lee:2007:DIC,% Mercero:2000:QMC,% Nakagawa:2000:TSC,% Okumoto:2001:CSB,% Okumoto:2003:CSE,% Rajamani:2003:IAU,% Rao:2000:MSH,% Ren:2004:MGL,% Ren:2009:DEE,% Rudolph:2005:AECb,% Rudolph:2005:AECc,% Schlegel:2003:EPE,% Siegbahn:2001:MAM,% Swart:2007:ELN,% Tarasov:2008:NCM,% Titmuss:2002:CLS,% Umanskii:2001:TKI,% Villa:2000:EWM,% Wang:2004:DID,% Wang:2005:TSR,% Wang:2006:TMS,% Wang:2007:IDD,% Wang:2009:DLD,% Wu:2002:DID,% Wu:2003:DLD,% Xiao:2002:DID,% Xie:2006:YRM,% Yamabe:2004:CSR,% Yang:2008:TSR,% Yang:2009:TSR,% Zhang:2004:TSM,% Zhao:2007:CDQ% }. \NAMECITE{Reactive}{% Lammers:2008:RFF,% Hirao:2008:RBO,% Mayaan:2007:CFF% }. \NAMECITE{reactivities}{% Hofer:2004:CDR,% Yamanaka:2003:TSS% }. \NAMECITE{reactivity}{% Anonymous:2006:EFS,% Bessac:2008:DMR,% Borosky:2003:TSC,% Bu:2000:ODD,% Choe:2005:EAC,% Fan:2007:CLS,% Gherman:2006:CSR,% Mediavilla:2009:MHP,% Studt:2006:TSM,% Tielens:2009:ERF,% Torrent-Sucarrat:2008:HKB% }. \NAMECITE{reagent}{% Du:2007:PRD% }. \NAMECITE{Real}{% Woods:2001:BRB,% Young:2011:CCP,% Pendas:2007:CFR,% Pendas:2009:SRR,% Schmid:2004:CPS,% Takahashi:2001:HQM% }. \NAMECITE{Real-World}{% Young:2011:CCP% }. \NAMECITE{rearrangement}{% Norberg:2008:MRR,% Polo:2005:JSB,% Zhu:2007:CIS% }. \NAMECITE{rearrangements}{% Lim:2006:TST,% Yamabe:2007:TSR% }. \NAMECITE{Reassessment}{% DelRio:2003:RMR% }. \NAMECITE{Reassociation}{% Dardenne:2001:RFU% }. \NAMECITE{recently}{% Rosso:2008:SDP% }. \NAMECITE{{RECEP}}{% Kristyan:2001:FAC% }. \NAMECITE{receptor}{% Das:2009:FES,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Grazioso:2008:ANA,% Huo:2002:CAS,% Kirchhoff:2001:ASB,% Morris:2009:AAA,% Sgrignani:2009:IDS,% Tatsumi:2004:HMM,% Taylor:2003:FFL,% Wojciechowski:2002:DSL,% Xiao:2009:GCC% }. \NAMECITE{receptors}{% Chaumont:2002:MQT,% Filizola:2001:GPP,% Nguyen:2005:CEI,% Yuzlenko:2009:MMA% }. \NAMECITE{{ReCO}}{% Harman:2005:CDD% }. \NAMECITE{Recognition}{% Ueno-Noto:2006:RTS,% Alcaro:2000:QFA,% Alcaro:2007:QFA,% Alvarez-Ginarte:2008:APR,% Ballester:2007:USR,% Chaumont:2002:MQT,% Davies:2002:PRM,% Exner:2002:PRSa,% Exner:2002:PRSb,% Gonzalez-diaz:2007:CCA,% Keil:2004:PRS,% Marabotti:2008:EBP,% Poulain:2008:IPD% }. \NAMECITE{Reconstructing}{% Bonomi:2009:REB% }. \NAMECITE{reconstruction}{% Adcock:2004:PBR,% Gront:2007:BBQ,% Kazmierkiewicz:2002:EBR,% Rotkiewicz:2008:FPR,% Tuffery:2005:IGA,% Widjaja:2002:PCS% }. \NAMECITE{recoverin}{% Li:2009:CTP% }. \NAMECITE{red}{% McDowell:2008:CSS,% Skowronek:2000:WDC% }. \NAMECITE{red-}{% McDowell:2008:CSS% }. \NAMECITE{redesign}{% Georgiev:2008:MDE% }. \NAMECITE{redistribution}{% Zhang:2001:CRE% }. \NAMECITE{{RedMD}}{% Gorecki:2009:RRM% }. \NAMECITE{redox}{% Galstyan:2009:ARP% 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Prabhakar:2006:DSM,% Nakata:2004:ETS% }. \NAMECITE{residues}{% Carvalho:2009:RVA,% Du:2007:PRD,% Hudaky:2001:PMX,% Jakli:2000:PMX,% Ohno:2006:LSM,% Ueno-Noto:2006:RTS,% Xu:2007:MOA% }. \NAMECITE{resolution}{% Bindewald:2005:SFD,% Brylinski:2008:QDL,% Carbo-Dorca:2009:NQSa,% Distasio:2007:IAA,% Gallicchio:2004:AAI,% He:2009:EPS,% Neese:2003:IRI,% Wang:2001:HRE,% Wojciechowski:2002:DSL% }. \NAMECITE{resolution-of-the-identity}{% Distasio:2007:IAA% }. \NAMECITE{resonance}{% Beck:2007:HRA,% Feldgus:2000:NRT,% Matamala:2007:SAI,% Wu:2007:SSC% }. \NAMECITE{resonances}{% Levi:2008:FVF,% Pristovsek:2006:SAP% }. \NAMECITE{RESP}{% Wang:2000:HWD% }. \NAMECITE{respect}{% Quinet:2001:ATS,% Quinet:2002:ATS% }. \NAMECITE{response}{% Huang:2008:APP,% Omori:2009:LRT,% vanGisbergen:2000:TEE% }. \NAMECITE{Restrained}{% Sigfridsson:2002:RPC,% Wang:2000:HWD% }. \NAMECITE{restraint}{% Lee:2007:IAH,% Lee:2009:BHR% }. \NAMECITE{restraints}{% Brylinski:2008:QDL,% Harvey:2003:MNA% }. \NAMECITE{restricted}{% Bofill:2000:AED% }. \NAMECITE{restrictions}{% Kaminsky:2009:MDR% }. \NAMECITE{results}{% Coutsias:2005:RSL,% Linnanto:2004:SPM,% Perczel:2003:PMX% }. \NAMECITE{Retardation}{% Hill:2004:RSP% }. \NAMECITE{retention}{% Ren:2004:MGL% }. \NAMECITE{reticulum}{% Huang:2009:MDS% }. \NAMECITE{retinal}{% Blomgren:2005:EPE,% Lopez:2006:CVE,% Matsuura:2006:AEA% }. \NAMECITE{Retrieval}{% Chelli:2008:RSD% }. \NAMECITE{reuptake}{% Fiorentino:2006:SVD% }. \NAMECITE{reveal}{% Das:2009:FES% }. \NAMECITE{revealed}{% Huang:2009:CSP% }. \NAMECITE{reveals}{% Pinak:2001:MDS% }. \NAMECITE{reverse}{% Abrahao-Junior:2001:CAH,% Moskaleva:2000:UID% }. \NAMECITE{Reversible}{% Damm:2000:RPF,% Kolafa:2004:TRA,% Nakashima:2006:RBF% }. \NAMECITE{Review}{% Bickelhaupt:2009:BRB,% Christen:2008:SSD,% Lipkowitz:2000:BRB,% Stanton:2000:BRB,% Woods:2001:BRB% }. \NAMECITE{{Reviews}}{% Lipkowitz:1999:RCC,% Stanton:2000:BRB% }. \NAMECITE{Revised}{% Anjima:2007:RMC,% Smith:2002:RQC% }. \NAMECITE{revisited}{% 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Sommer:2001:MRI,% Yao:2005:CGR,% Zhou:2009:GSB% }. \NAMECITE{{RNA}-ligand}{% Anderson:2006:MSR% }. \NAMECITE{{RNAC}luster}{% Liu:2008:RIT% }. \NAMECITE{{RNase}}{% Rosta:2009:ARC% }. \NAMECITE{ro}{% Liu:2001:RGC% }. \NAMECITE{ro-vibrational}{% Liu:2001:RGC% }. \NAMECITE{robust}{% Grohmann:2008:TRQ,% Hardin:2002:FFK,% Yang:2000:FLD% }. \NAMECITE{{R{}O{}CR}}{% Carballeira:2000:IIG% }. \NAMECITE{rod}{% Benzi:2005:BCF% }. \NAMECITE{rod-like}{% Benzi:2005:BCF% }. \NAMECITE{Role}{% Barone:2009:RET,% Carballeira:2001:RAE,% Carvalho:2009:RVA,% Castano:2002:RBB,% Ruvinsky:2007:RBE,% Suresh:2008:RSW,% Zarzycki:2005:RSH,% Bao:2006:TSR,% Carbo-Dorca:2009:NQSb,% Cerqueira:2004:RAE,% Kaupp:2007:RRN,% Tiraboschi:2001:ICZ,% Villa:2000:EWM,% Yamabe:2004:CSR,% Yamabe:2007:TSR,% Yu:2006:WRD,% Prabhakar:2006:DSM% }. \NAMECITE{Roles}{% Alemany:2008:RCE,% Ito:2001:RPE,% Nakamura:2009:RKD% }. \NAMECITE{roll}{% Forester:1998:SRR,% Forester:2000:ESR% }. \NAMECITE{room}{% Tchougreeff:2008:CSC% }. \NAMECITE{{Roothaan}}{% Tatewaki:2003:GTF% }. \NAMECITE{roots}{% Bofill:2000:AED,% Nilsson:2009:ETL% }. \NAMECITE{Rotamer}{% Hong:2009:ROP,% Gordon:2003:ERO,% Kover:2009:CNT,% Leaver-Fay:2007:MSA,% Song:2009:MIP% }. \NAMECITE{Rotamers}{% Loksha:2009:SSH,% Shah:2004:PRP% }. \NAMECITE{rotation}{% Campomanes:2005:SBR,% Crespo-Otero:2004:TMI,% Darian:2005:EAI,% DelRio:2003:RMR,% Hnizdo:2003:STI,% Holt:2008:ICM,% Lee:2009:BHR,% Li:2005:SFS,% Masgrau:2003:DRC,% Ode:2008:FFP,% Pendas:2009:SRR% }. \NAMECITE{Rotational}{% Coutsias:2005:RSL,% Bekker:2004:MON,% Kuttel:2002:CSS,% Tafipolsky:2005:CRP% }. \NAMECITE{rotations}{% Ivanic:2003:MMG% }. \NAMECITE{rotors}{% Wong:2007:TCM,% Wong:2008:TCM% }. \NAMECITE{rough}{% Panczyk:2007:CIG% }. \NAMECITE{rough/fractal}{% Panczyk:2007:CIG% }. \NAMECITE{roughness}{% Partay:2008:NMD% }. \NAMECITE{routes}{% Gonzalez-Garcia:2005:ESS% }. \NAMECITE{routine}{% Kliesch:2001:EEP% }. \NAMECITE{routines}{% Ahlrichs:2002:ELA% }. \NAMECITE{row}{% Allinger:2000:VWE,% Baker:2003:AOO,% Bredow:2001:MPT,% Jug:2000:MPT,% Lovallo:2003:DNP,% Lovallo:2004:IMC,% Rassolov:2001:BST,% Yanagisawa:2001:IUD% }. \NAMECITE{Royal}{% Li:2006:RCS% }. \NAMECITE{RS}{% Li:2003:HDM,% Eckert:2006:APB,% Eckert:2009:PAA,% Klamt:2002:PAS,% Li:2003:CMV% }. \NAMECITE{{RS-HDMR}}{% Li:2003:CMV% }. \NAMECITE{{RT}}{% Takashima:2002:NPA% }. \NAMECITE{Ru}{% Zheng:2002:SSE% }. \NAMECITE{rule}{% Gillespie:2007:EGL% }. \NAMECITE{rules}{% Al-Matar:2004:GEM% }. \NAMECITE{runs}{% Ekanayake:2007:MTS% }. \NAMECITE{ruthenium}{% Futera:2009:IPS,% Piacenza:2007:CQC% }. \NAMECITE{{Rydberg}}{% Pitarch-Ruiz:2008:FCI,% Zyubin:2003:PTD,% deSouza:2009:CMC% }. \NAMECITE{S}{% Bento:2005:IDB,% Bickelhaupt:2009:BRB,% Gogtas:2008:TDQ,% Honda:2008:ECD,% Jenkins:2000:BSC,% Kan:2007:TIP,% Masgrau:2003:DRC,% Mckee:2007:MHE,% Mckee:2007:MNF,% Wu:2007:ESC,% Zeng:2007:EAH,% Zhang:2001:CRE,% Xie:2004:HBS,% Zanuy:2003:TIP,% Dallos:2002:DEM,% Hori:2003:HQM,% Medvedev:2006:ATD,% Mo:2000:IQM,% Ren:2004:MGL,% Rocha:2006:RRA,% Sarma:2000:LSY,% Wang:2006:TMS,% Yamabe:2004:CSR% }. \NAMECITE{{S}-network}{% Medvedev:2006:ATD% }. \NAMECITE{s-tetrazine}{% Xie:2004:HBS% }. \NAMECITE{{SA}}{% Gohlke:2004:CFE,% Guvench:2002:AFA,% Wittayanarakul:2008:APP% }. \NAMECITE{SAAP}{% Iwaoka:2003:SFF,% Iwaoka:2003:SFF,% Iwaoka:2009:SFF% }. \NAMECITE{{SAC}}{% Das:2003:EEG,% Hasegawa:2007:ESG,% Honda:2008:ECD% }. \NAMECITE{{SAC/SAC}}{% Das:2003:EEG% }. \NAMECITE{saddle}{% Dallos:2002:DEM,% Galvan:2004:NML,% Hirsch:2002:IRM% }. \NAMECITE{{SAFE\_p}}{% Arenas:2009:PAB,% Vilar:2007:IDS% }. \NAMECITE{{Sakurai}}{% Tsuchimochi:2008:ASS% }. \NAMECITE{{Sakurai-Sugiura}}{% Tsuchimochi:2008:ASS% }. \NAMECITE{salts}{% Jimenez-Halla:2009:TAT,% Kim:2001:DFT,% Kim:2002:EDF,% Jimenez-Halla:2011:ETA% }. \NAMECITE{{Salvetti}}{% Imamura:2008:CST% }. \NAMECITE{{Salvetti}-type}{% Imamura:2008:CST% }. \NAMECITE{{SAM}}{% Wu:2008:QMS% }. \NAMECITE{{SAM}-dependent}{% Wu:2008:QMS% }. \NAMECITE{{Sammon}}{% Frickenhaus:2009:EES% }. \NAMECITE{sampled}{% Izrailev:2006:DGH% }. \NAMECITE{Sampling}{% Lei:2004:SPC,% Brown:2003:CWN,% Carlsson:2003:IPE,% Chen:2005:ATA,% Chen:2009:PRW,% Chen:2013:EPR,% Christ:2009:CTE,% Christen:2008:SSD,% Cordomi:2007:EDT,% Donckels:2009:KBM,% Frickenhaus:2009:EES,% Gautier:2003:CAS,% Han:2001:AMS,% Ishida:2003:LIS,% Jang:2006:MPC,% Kamiya:2001:RAS,% Kegerreis:2007:OMC,% Lu:2004:IER,% Mak:2008:RCS,% Miyata:2008:CMD,% Monticelli:2008:MSM,% Nakamura:2002:MCS,% Nakamura:2006:TPA,% Rajamani:2003:IAU,% Rapallo:2006:AUS,% Seeliger:2009:TGV,% Song:2009:MIP,% Tafipolsky:2005:CRP,% Yang:2006:GAP,% Zhu:2007:SOS% }. \NAMECITE{sandwich}{% Jin:2009:SBS,% Rani:2007:ESB% }. \NAMECITE{sandwich-like}{% Jin:2009:SBS% }. \NAMECITE{sandwiched}{% Meyer:2005:ISP% }. \NAMECITE{sarcoplasmic}{% Huang:2009:MDS% }. \NAMECITE{{SARS}}{% Liu:2005:SCP% }. \NAMECITE{{SARS-CoV}}{% Liu:2005:SCP% }. \NAMECITE{SASMIC}{% Echenique:2006:DSA% }. \NAMECITE{Sason}{% Bickelhaupt:2009:BRB% }. \NAMECITE{Sb}{% Lai:2008:TCH,% Xia:2008:BSZ,% Xu:2008:USS% }. \NAMECITE{Scalable}{% Phillips:2005:SMD,% Vadali:2004:SFG,% Anonymous:2005:EDS,% Khan:2005:SPM,% Shaw:2005:FSM,% Verma:2007:AAN% }. \NAMECITE{scalar}{% Gourlaouen:2006:RGM,% Kover:2009:CNT,% Malcolm:2003:IAL% }. \NAMECITE{scale}{% Das:2003:PHM,% Jaqaman:2002:NSW,% Kolossvary:2001:HFL,% Meinke:2009:FED,% Merlitz:2004:FAA,% Murphy:2000:MQM,% Musch:2006:DMN,% Nakamura:2002:MCS,% Nakamura:2006:TPA,% Rubensson:2007:HSM,% Shepard:2002:RCE,% Takashima:2002:NPA,% Wan:2004:LSM,% Wroblewska:2007:CPB% }. \NAMECITE{scale-transformed}{% Nakamura:2002:MCS,% Nakamura:2006:TPA% }. \NAMECITE{scaled}{% Carlsson:2003:IPE,% Jung:2007:FES% }. \NAMECITE{scaling}{% Agrafiotis:2001:MSC,% Agrafiotis:2001:MSV,% Constans:2002:LSA,% Fossgaard:2006:SSM,% Greatbanks:2000:CEP,% Gregersen:2006:CSI,% Korchowiec:2009:ECT,% Li:2002:LSL,% Ohno:2006:LSM,% Rubensson:2005:SSM,% Saravanan:2003:SMM,% Schwarzl:2005:NCS,% Schweizer:2008:LSC,% Sorin:2005:EFF,% Titmuss:2002:CLS,% Zheng:2009:ITS,% 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Tantillo:2002:TSD,% Tokura:2008:DLS,% Tomlinson:2003:DIS,% Tsuchimochi:2008:ASS,% Witek:2002:ISA,% Wittayanarakul:2008:APP,% Zhao:2008:TDD,% Zhou:2006:CSG% }. \NAMECITE{state-correlation}{% Shi:2008:PSI% }. \NAMECITE{state-specific}{% Tokura:2008:DLS% }. \NAMECITE{states}{% Angeli:2009:NIE,% Anglada:2001:QRP,% Bofill:2001:RCQ,% Bour:2001:CRO,% Camacho:2009:ISM,% Choe:2007:TSE,% Das:2003:EEG,% Deeth:2004:PND,% Ekanayake:2007:MTS,% Falzon:2006:PSC,% Fores:2000:TCI,% Hasegawa:2007:ESG,% Herrmann:2006:SSP,% Huang:2009:DCE,% Ivanic:2003:MMG,% Kloppmann:2007:EDE,% Lai:2008:TCH,% Li:2007:TSV,% Liu:2008:ETS,% Mazur:2009:ADT,% Mok:2001:ICS,% Nakata:2004:ETS,% Nakata:2004:TSE,% Oliva:2006:CSL,% Oostenbrink:2003:SSP,% Pitarch-Ruiz:2008:FCI,% Quapp:2001:CQR,% Santoro:2008:CTD,% Shukla:2000:ISE,% Vasilkoski:2000:GPF,% Wei:2007:TIE,% Xie:2005:EEG,% Zou:2005:ETS,% Zou:2007:TSL,% Zou:2009:CIC,% Zyubin:2003:PTD,% deSouza:2009:CMC,% Anglada:2001:EQR% }. \NAMECITE{static}{% Ferrero:2008:CSP,% Luo:2002:APB,% Maroulis:2003:IDE,% Xu:2009:NED% }. \NAMECITE{stationary}{% Sakuraba:2009:MMT% }. \NAMECITE{Statistical}{% Hnizdo:2003:STI,% Pinsky:2003:SAE,% Dai:2008:USM,% Echenique:2006:EFE,% Kobrak:2003:SSE,% Moskaleva:2000:UID,% Ruvinsky:2005:NFS,% Schluttig:2008:CMD% }. \NAMECITE{statistical-thermodynamic}{% Ruvinsky:2005:NFS% }. \NAMECITE{step}{% Barash:2003:ISL,% Bosch:2003:BPM,% Dai:2006:NCD,% Kawata:2000:CEC,% Krautler:2006:MTS,% Massova:2002:PKM,% Mckee:2007:MNF,% Oostenbrink:2003:SSP,% Oostenbrink:2009:EFE,% Zheng:2009:ITS% }. \NAMECITE{step/particle}{% Barash:2003:ISL% }. \NAMECITE{stepwise}{% Lim:2006:TST,% Lopez:2007:PDD,% Norberg:2008:MRR% }. \NAMECITE{Stereodynamics}{% Campomanes:2005:SBR% }. \NAMECITE{Stereoelectronic}{% Daga:2008:SPS,% Pendas:2009:SRR% }. \NAMECITE{stereoisomers}{% Pacios:2009:STB% }. \NAMECITE{stereoselective}{% Alcaro:2000:QFA,% Alcaro:2007:QFA% }. \NAMECITE{Stereospecific}{% Pristovsek:2006:SAP% }. \NAMECITE{Steric}{% Pendas:2009:SRR,% Bubel:2000:MMB,% Xi:2006:DGQ% }. \NAMECITE{steroids}{% Alvarez-Ginarte:2008:APR% }. \NAMECITE{sterols}{% Cournia:2005:MMF% }. \NAMECITE{{STFs}}{% Duret:2008:SEI% }. \NAMECITE{stiff}{% Echenique:2006:QMC% }. \NAMECITE{stilbene}{% Calaminici:2002:MLF% }. \NAMECITE{{STO}}{% Chong:2003:SGF,% Rico:2001:CBG,% Rico:2005:TSC% }. \NAMECITE{Stochastic}{% Agrafiotis:2003:SPE,% Faulon:2001:SGC,% Kovalyov:2008:SSP,% Saunders:2004:SSI,% Addicoat:2009:KCS,% Chandrasekhar:2001:EEC,% Darian:2005:EAI,% Gonzalez-diaz:2007:CCA,% Mancera:2004:LPD,% Zhang:2008:REE% }. \NAMECITE{{Stoner}}{% Seo:2008:NSC% }. \NAMECITE{stool}{% Futera:2009:IPS% }. \NAMECITE{storage}{% Fossgaard:2006:SSM% }. \NAMECITE{stored}{% Ahlrichs:2002:ELA,% Mitin:2003:PSI% }. \NAMECITE{stored-integral}{% Mitin:2003:PSI% }. \NAMECITE{Strain}{% Stanger:2001:SIB% }. \NAMECITE{strained}{% Stanger:2001:SIB% }. \NAMECITE{strand}{% Gromiha:2004:NNB,% Jagielska:2007:OIH% }. \NAMECITE{stranded}{% Arnaud:2003:TSI% }. \NAMECITE{Strategies}{% Duret:2008:SEI,% Lloyd:2005:SIE,% Yang:2009:SMN,% Exner:2002:PRSa,% Exner:2002:PRSb,% Keil:2004:PRS,% Visscher:2002:DEQ% }. \NAMECITE{strategy}{% Borini:2005:CFC,% Curco:2003:EFS,% Li:2008:QSM,% Marabotti:2007:NCS,% Rathinavelan:2008:NSD,% Schlund:2008:CAA,% Wang:2009:PPT,% Whitfield:2002:GSG% }. \NAMECITE{streamlining}{% VanZeist:2008:PSY% }. \NAMECITE{strength}{% Donnini:2005:IEI,% Frison:2008:CSS,% Schwobel:2009:MHB% }. \NAMECITE{strengths}{% Raub:2007:QCI% }. \NAMECITE{stretch}{% Klein:2003:HBD,% Sefcik:2002:DCE% }. \NAMECITE{stretching}{% Chandra:2008:BSC% }. \NAMECITE{strictly}{% Fornili:2006:SSL,% Tokmachev:2001:SIS,% Tokmachev:2005:TPS% }. \NAMECITE{Strike}{% Anonymous:2006:EZX,% Wang:2006:SBO% }. \NAMECITE{string}{% Quapp:2004:RPP,% Quapp:2007:FTS% }. \NAMECITE{strong}{% Lai:2007:COR,% Pacios:2006:VAC% }. \NAMECITE{strongest}{% Vchirawongkwin:2007:TSS% }. \NAMECITE{strongly}{% Ono:2000:PFE% }. \NAMECITE{strontium}{% Rabone:2006:IPM% }. \NAMECITE{Structural}{% Chen:2007:SEO,% English:2003:SDP,% Kritayakornupong:2009:SDP,% Li:2007:SEP,% Liu:2007:SEO,% Massi:2003:SDA,% Bosch:2003:BPM,% Chen:2008:PPS,% Chen:2009:MCI,% Elstner:2003:MZB,% Gao:2007:WSN,% Helal:2002:ICS,% Hudaky:2004:SMI,% Kan:2009:TPR,% Karafiloglou:2006:CDS,% Kuta:2006:PDM,% Lin:2007:UPA,% Lloyd:2005:SIE,% Nifosi:2007:VSS,% Omori:2009:LRT,% Patra:2004:SCF,% Qiu:2009:USV,% Shien:2009:ISC,% Suresh:2008:RSW,% Swart:2006:PAM,% Xiao:2006:UPA,% Xiao:2008:UGD,% Zacharias:2003:PSM,% Zhong:2008:TSP,% Curco:2007:CTM% }. \NAMECITE{structurally}{% Alvarez-Ginarte:2008:APR% }. \NAMECITE{Structure}{% Budin:2001:SBL,% Cuesta:2006:SMN,% Haranczyk:2008:SSO,% Hofer:2005:SBE,% Hu:2007:WSB,% Intharathep:2005:SDH,% Ke:2006:SVC,% Kritayakornupong:2004:SDC,% Mark:2002:SDL,% Perczel:2005:SSP,% Ponec:2008:SBB,% Pribil:2008:SDP,% Rosso:2008:SDP,% Schreiber:2007:SBA,% Alfonso:2003:FNE,% Aspuru-Guzik:2005:ZPQ,% Ball:2002:ENA,% Betancourt:2001:FNH,% Bultinck:2002:GPD,% Buttingsrud:2007:VCP,% Cai:2003:PPS,% Call:2007:GMS,% Carbo-Dorca:2009:NQSa,% Carbo-Dorca:2009:NQSb,% Casadesus:2004:TES,% Chen:2003:SSS,% Choe:2005:EAC,% Christianson:2000:ITC,% Concu:2009:CCS,% Crawford:2007:POS,% Dirks:2003:PFA,% Du:2008:MFT,% Du:2009:FBQ,% Faulon:2001:SGC,% Ferrante:2007:TSI,% Ferro:2007:MES,% Fiaty:2004:ADA,% Flocke:2008:EEI,% Frenking:2007:ESC,% Gdanitz:2005:RAE,% Gherman:2006:CSR,% Gonzalez-Garcia:2005:ESS,% Gonzalez-diaz:2007:RCN,% Habershon:2003:DMP,% Hardin:2002:FFK,% Higo:2002:HSH,% Hudaky:2005:TDD,% Im:2009:NFE,% Jacquemin:2002:IAD,% Jiang:2003:NTI,% Karamertzanis:2005:ICS,% Katagiri:2008:IPS,% Khandogin:2000:ESP,% Kim:2009:CSP,% Kirchhoff:2001:ASB,% Kisowska:2008:SCB,% Komeiji:2007:CPE,% Kong:2000:QCH,% Kurtulus:2006:ESC,% Latek:2007:PSP,% Lee:2008:RES,% Lee:2009:SEE,% Lehnert:2006:ESI,% Leon:2002:IPS,% Li:2005:SFS,% Liao:2009:BCM,% Liu:2006:RPS,% Liu:2008:RIT,% Liu:2008:TSS,% Liu:2009:TDD,% Loeffler:2003:EMB,% Loeffler:2003:MBE,% Lu:2007:SSH,% Maul:2007:DSU,% Mayer:2000:CDC,% Milgram:2008:SIK,% Mishra:2002:ITS,% Naidoo:2001:WSA,% Nakajima:2002:RES,% Nanias:2005:PSP,% Oncak:2008:ESP,% Perera:2002:PSS,% Poater:2009:MSP,% Porwal:2007:PSP,% Prabhakar:2005:CSV,% Pristovsek:2002:SSS,% Pristovsek:2006:SAP,% Qu:2005:ESS,% Rani:2007:ESB,% Rathinavelan:2007:ETF,% Rubensson:2005:SSM,% Rubensson:2007:HSM,% Saravanan:2003:SMM,% Shen:2004:HPS,% Sommer:2001:MRI,% Stashans:2008:ESC,% Tchougreeff:2008:CSC,% Tokmachev:2001:SIS% }. \NAMECITE{structure}{% Tuffery:2005:IGA,% VanEijck:2002:CSP,% Vchirawongkwin:2007:TSS,% Wan:2004:QSA,% Wang:2001:HRE,% Wolff:2008:FPM,% Wroblewska:2007:CPB,% Xiang:2004:FQM,% Yu:2009:ECS,% Zhang:2007:EPW,% Zhang:2007:SEG,% Zhang:2008:EPW,% Zheng:2009:STC,% Zhu:2008:ISE,% vanDroogenbroeck:2004:SMI,% vanEijck:2001:ICSa,% vanEijck:2001:ICSb,% Rodriguez-Ropero:2008:ICS% }. \NAMECITE{Structure-based}{% Budin:2001:SBL,% Hu:2007:WSB,% Kirchhoff:2001:ASB% }. \NAMECITE{Structure-breaking}{% Hofer:2005:SBE,% Vchirawongkwin:2007:TSS% }. \NAMECITE{structure-properties}{% Carbo-Dorca:2009:NQSa,% Carbo-Dorca:2009:NQSb% }. \NAMECITE{structure-property}{% Jiang:2003:NTI,% Poater:2009:MSP% }. \NAMECITE{structured}{% Davila:2002:AMT% }. \NAMECITE{Structures}{% Adamo:2000:SPL,% Cui:2008:SSE,% He:2008:SSL,% Kasalova:2005:SEA,% Pacios:2009:STB,% Rahal-Sekkal:2003:SED,% Amatatsu:2002:ISE,% Baranov:2008:ELH,% Beke:2006:TRD,% Bindewald:2005:SFD,% Bolshakov:2007:PNB,% Chandra:2003:ISS,% Cheng:2007:ESC,% Cossi:2003:ESE,% Dai:2008:USM,% Deeth:2004:PND,% Derepas:2002:CWU,% Dominy:2002:INL,% Doruker:2002:DLP,% Eom:2007:CGP,% Feig:2004:PCG,% Gao:2004:TSS,% Gao:2008:EFP,% Garcia-Cruz:2000:DMM,% Hauck:2001:GSS,% Huang:2009:DCE,% Huang:2009:ESO,% Huang:2009:FPC,% Ikeda:2003:HHI,% Karafiloglou:2001:MCW,% Kasalova:2007:MST,% Kumar:2004:TSS,% Launay:2005:TSS,% Lee:2008:AES,% Leherte:2008:CMR,% Li:2002:MMG,% Li:2007:SRS,% Lin:2005:DGO,% Makowski:2006:EAE,% Masamura:2001:IMOb,% Mohle:2001:DPP,% Ponec:2003:CSA,% Ponec:2005:CSA,% Rathinavelan:2008:NSD,% Rey-Stolle:2009:TBM,% Rousseau:2000:AEC,% Rubensson:2009:TSM,% Saito:2007:NMD,% Schreiber:2005:EEL,% Sklenar:2006:UIC,% Tang:2001:EIC,% Tang:2001:ICS,% Tarasov:2008:NCM,% Tokmachev:2006:EGF,% VandeStreek:2002:IEC,% Wada:2005:QCM,% Wagoner:2004:EJW,% Wagoner:2004:SFB,% Wagoner:2005:ESF,% Wang:2006:TSS,% Wojciechowski:2002:DSL,% Wroblewska:2007:CPB,% Wu:2006:ESM,% Wu:2007:ESC,% Wysokinski:2001:PDD,% Xie:2006:TSI,% Xiong:2008:DSP,% Yamanaka:2003:TSS,% Yao:2005:CGR,% Zhan:2009:CPN,% Zhu:2003:TSS,% Zhu:2006:IPE,% Atanasov:2006:DMC,% Fan:2007:CLS,% Sun:2008:SSH,% Upadhyay:2003:ISM,% Zhao:2004:ACT,% Zhu:2009:SPH% }. \NAMECITE{studied}{% Antony:2002:BDC,% Chuev:2008:HIS,% Darkhovskii:2003:LHS,% Hasegawa:2007:ESG,% Kisowska:2008:SCB,% Lee:2000:MBI,% Roux:2007:BPD,% Rulisek:2006:RMI,% Seno:2006:ATS,% Shi:2008:PSI% }. \NAMECITE{Studies}{% Jorgensen:2012:LEC,% Zheng:2002:SSE,% Adamo:2000:SPL,% Agostini:2006:GSA,% Anonymous:2006:EFS,% Bao:2006:TSR,% Barone:2001:NJC,% Bharatam:2006:TSE,% Borodin:2001:IQC,% Bras:2008:MSF,% Cruz-Monteagudo:2008:DBM,% DeMarothy:2007:EMR,% Eom:2007:CGP,% Fan:2008:TSF,% Gao:2004:TSS,% Gohlke:2004:CFE,% Grabuleda:2000:MDS,% Han:2001:DFS,% Hong:2000:CED,% Ji:2008:TDS,% Ke:2006:SVC,% Kim:2001:DFT,% Kim:2002:EDF,% Klein:2002:ICS,% Kong:2005:MNS,% Lee:2004:IDS,% Li:2007:SEP,% Liao:2008:TSP,% Lin:2007:SVM,% Liu:2002:CRI,% Liu:2009:COR,% Lu:2002:GTN,% Masetti:2008:MHP,% Massova:2002:PKM,% Maul:2007:DSU,% Momany:2000:CSC,% Rani:2007:ESB,% Rutkowska-Zbik:2007:TDF,% Sapre:2009:GCO,% Sauer:2000:CQM,% Schnupf:2008:DCS,% Shen:2004:HPS,% Sheng:2004:IDD,% Song:2009:ETS,% Sousa:2007:TSF,% Studt:2006:TSM,% Takahashi:2003:TSM,% Torrent:2002:CSR,% Turner:2003:SDP,% Valdes:2002:IDS,% Vetere:2003:CSQ,% Vicens:2000:DFS,% Vijayalakshmi:2008:TSC,% Wang:2001:TSP,% Wang:2004:DID,% Wang:2007:IDD,% Wang:2009:DLD,% Wu:2003:DLD,% Wu:2003:ISP,% Wu:2005:TSN,% Wu:2007:SSC,% Wu:2008:CSD,% Xiao:2002:DID,% Xue:2003:TSG,% Yamanaka:2003:TSS,% Yang:2005:TSE,% Yang:2009:TSR,% Yu:2009:CSR,% Yuzlenko:2009:MMA,% Zhan:2005:FPS,% Zhang:2005:DLD,% Zhang:2006:ISI,% Zheng:2007:CSS,% Zhu:2003:TSS,% Zou:2005:ETS% }. \NAMECITE{studio}{% Ganesh:2009:MSC% }. \NAMECITE{Studt}{% Anonymous:2006:EFS% }. \NAMECITE{Study}{% Leininger:2001:SSS,% Seda:2005:SES,% Yang:2006:SPC,% Zarzycki:2004:SPA,% Addicoat:2008:AVD,% Alves-Santos:2006:ASD,% Amatatsu:2002:ISE,% Amatatsu:2002:ISP,% Aquino:2003:AOS,% Arnaud:2000:QMS,% Arnaud:2003:TSI,% Balucani:2001:GPD,% Barman:2009:IMM,% Bento:2005:IDB,% Benzi:2002:QMS,% Bil:2006:HRH,% Bobrowski:2002:ISM,% Bondesson:2008:BSD,% Bondesson:2012:EBS,% Borosky:2003:TSC,% Borowski:2006:EDC,% Brookes:2009:IPL,% Bucinsky:2009:REG,% Burda:2005:HPA,% Campomanes:2005:SBR,% Capar:2007:OEE,% Catlow:2008:ZOC,% Chandra:2000:KHA,% Chandra:2001:ROR,% Chandra:2003:ISS,% Chen:2003:SSS,% Chen:2007:MMM,% Chen:2007:SEO,% Chen:2009:IDR,% Cheng:2009:SSC,% Chesnut:2001:LFS,% Choe:2005:EAC,% Choe:2007:TSE,% Chval:2008:TES,% Claes:2003:TSI,% Claes:2004:TSI,% Concu:2009:CCS,% Condic-Jurkic:2008:MAB,% Corzana:2004:HSL,% Cummins:2005:CMS,% Curutchet:2003:TFC,% Das:2003:EEG,% DeJong:2005:OAE,% Deng:2008:CTS,% Deng:2009:NHC,% Derosa:2009:CSD,% Du:2005:HML,% Echenique:2008:EMC,% Evarestov:2008:FPD,% Ferenczy:2001:III,% Ferrante:2007:TSI,% Formaneck:2006:UGB,% Freeman:2003:CSC,% Frison:2008:CSS,% Fukuzawa:2005:IQM,% Fukuzawa:2006:III,% Fukuzawa:2007:III,% Futera:2009:IPS,% Gao:2009:TSF,% Garcia-Hernandez:2002:CSR,% Gillessen:2009:CSF,% Gogtas:2008:TDQ,% Goh:2001:AFA,% Golebiowski:2002:RSC,% Gonzalez-Garcia:2005:ESS,% Gonzalez:2006:PCM,% Gresh:2004:IIE,% Grybos:2009:INM,% Hada:2001:QSN,% He:2005:TSR,% Hegemann:2008:ASC,% Helal:2009:IMS,% Hemmateenejad:2004:AIT,% Hemmateenejad:2008:AQT,% Hernandes:2003:CSL,% Hou:2007:DSD,% Hudaky:2001:PMX,% Hudaky:2004:SMI,% Hugosson:2006:CTS,% Improta:2004:ARD,% Infante:2004:QMS,% Infante:2006:QMS,% Ishikawa:2009:TSP,% Ji:2007:KMH,% Ju:2009:GDT,% Jug:2000:MSL,% Jung:2004:CMF,% Kang:2007:TSF,% Kar:2007:SSB,% Knippenberg:2006:GFS,% Kobayashi:2001:TSE,% Komeiji:2007:CPE% }. \NAMECITE{study}{% Kruger:2001:DSH,% Kumar:2004:TSS,% Kusama:2005:TSQ,% Launay:2005:TSS,% Le:2001:ISC,% Lee:2004:CSC,% Lee:2007:CSM,% Lee:2008:AES,% Lee:2009:CIF,% Lee:2009:SEE,% Leon:2002:IPS,% Li:2001:TSS,% Li:2003:ISI,% Li:2004:DDS,% Li:2007:QCS,% Li:2007:TSV,% Li:2008:QSM,% Liao:2002:CSM,% Liao:2003:PAD,% Liddell:2004:ASS,% Lie:2008:DSS,% Lim:2006:TST,% Lin:2002:TSS,% Linnanto:2004:SPM,% Liu:2002:TSMa,% Liu:2002:TSMb,% Liu:2008:ETS,% Liu:2008:TSS,% Liu:2009:TDD,% Lopez-Martinez:2009:TSE,% Lu:2007:SSH,% Ma:2008:SOA,% Mandado:2007:CGT,% Marechal:2006:DSR,% Masamura:2001:IMOa,% Masamura:2001:IMOb,% Matsubara:2008:IEE,% McDowell:2003:CSL,% McDowell:2008:CSS,% Meinke:2009:FED,% Meyer:2001:DFS,% Milet:2006:RNS,% Mirzaei:2008:CNS,% Mishra:2002:ITS,% Moskaleva:2000:UID,% Munoz:2004:PEB,% Nakagawa:2000:TSC,% Nakata:2004:ETS,% Nakata:2004:TSE,% Nifosi:2007:VSS,% Ohta:2004:IBC,% Ohtsuka:2001:ETT,% Okumoto:2001:CSB,% Okumoto:2003:CSE,% Oliva:2006:CSL,% Oncak:2008:ESP,% Ozawa:2008:CHB,% Pacios:2006:CSP,% Palfi:2008:HSC,% Panczyk:2007:CIG,% Peiro-Garcia:2003:ISM,% Peiro-Garcia:2003:TIS,% Perczel:2000:TDD,% Pereira:2004:TSR,% Piacenza:2004:SQC,% Piacenza:2007:CQC,% Pinak:2003:OLB,% Piquemal:2005:CSD,% Pisani:2008:PLM,% Pitarch-Ruiz:2003:VSC,% Polo:2005:JSB,% Polo:2007:NIB,% Prabhakar:2005:CSV,% Prabhakar:2006:DSM,% Prall:2001:SEB,% Pribil:2008:SDP,% Price:2005:DCB,% Qu:2002:TSM,% Queralt:2008:AMS,% Rajamani:2002:CQM,% Ramirez-Anguita:2009:FPDa,% Ramirez-Anguita:2009:FPDb,% Rankin:2001:DFT,% Rivalta:2006:MAC,% Robertazzi:2004:HBS,% Rocha:2000:CIR,% Rosso:2008:ICS,% Roy:2006:ATC,% Rungnim:2005:DFS,% Sabzyan:2007:EFE,% Saito:2005:FEC,% Santos:2006:QQS,% Schluttig:2008:CMD,% Schreiber:2007:SBA,% Sheng:2004:TSR,% Shukla:2000:ISE,% Simpson:2009:MSA,% Sinnecker:2006:QMC,% Sirois:2003:DFS,% Soto-Castro:2004:MVD% }. \NAMECITE{study}{% Stepanenko:2008:NTS,% Su:2007:VBS,% Sun:2005:UIF,% Sunoj:2001:CID,% Suresh:2008:RSW,% Suresh:2009:TAN,% Suvire:2006:DFC,% Talarico:2000:ECI,% Tao:2001:TSR,% Tchougreeff:2008:CSC,% Tsipis:2002:MAD,% Ueno-Noto:2006:RTS,% Umanskii:2001:TKI,% Upadhyay:2003:ISM,% Vchirawongkwin:2007:TSS,% Wan:2004:QSA,% Wan:2009:CSC,% Wang:2001:HRE,% Wang:2004:SEA,% Wang:2005:RBA,% Wang:2005:TSR,% Wang:2006:TMS,% Wang:2006:TSS,% Wang:2007:TSM,% Wang:2007:TSR,% Wang:2008:DFS,% Wang:2008:DSC,% Wang:2009:FPS,% Witek:2004:SSV,% Wladkowski:2003:HCP,% Wolff:2008:FPM,% Wong:2009:NIS,% Wu:2002:DID,% Wu:2003:DAG,% Wu:2008:QMS,% Wu:2008:TSH,% Xi:2006:DGQ,% Xia:2008:BSZ,% Xie:2006:RRC,% Xie:2006:TSI,% Xie:2008:EEA,% Xue:2005:DSM,% Xue:2009:SOS,% Yamabe:2003:CSI,% Yamabe:2004:CSR,% Yamabe:2007:TSR,% Yan:2004:TSS,% Yang:2006:MSC,% Yang:2007:FEP,% Yang:2008:DDS,% Yang:2008:TSR,% Yang:2009:TSG,% Yu:2006:TSS,% Zagrovic:2003:SVD,% Zanasi:2007:CDN,% Zhang:2004:DLI,% Zhang:2004:TSM,% Zhang:2004:TSR,% Zhang:2005:TSR,% Zhang:2006:TMS,% Zhang:2006:TSM,% Zhang:2007:TSB,% Zhang:2008:TSO,% Zhang:2009:TSR,% Zhao:2008:TDD,% Zheng:2009:DSC,% Zhou:2006:CSG,% Zhou:2007:NSE,% Zhu:2008:ISE,% Zotti:2008:ABF,% Zou:2007:TSL,% deSouza:2009:CMC,% delRio:2000:TSR,% Nair:2004:MDI% }. \NAMECITE{studying}{% Alcaro:2000:QFA,% Alcaro:2007:QFA,% deViterbo:2001:ANN% }. \NAMECITE{styrene}{% Amatatsu:2002:ISE,% Amatatsu:2002:ISP,% Xue:2009:SOS% }. \NAMECITE{subspace}{% Frankcombe:2000:SUM,% Harrison:2004:KSA% }. \NAMECITE{substance}{% Corcho:2004:CAC% }. \NAMECITE{substances}{% Aquino:2003:AOS% }. \NAMECITE{substantially}{% Ruvinsky:2005:NFS% }. \NAMECITE{Substituent}{% Ju:2005:SEH,% Lee:2009:SEE,% Prall:2001:SEB,% Barone:2001:NJC,% Hemmateenejad:2009:AMA% }. \NAMECITE{substituents}{% Piacenza:2008:TEE% }. \NAMECITE{substituted}{% Arnaud:2000:QMS,% Bohm:2006:CEF,% Bohm:2007:IER,% Hemmateenejad:2008:AQT,% Hrovat:2001:BCB,% Larin:2008:CEF,% Mayaan:2007:CFF,% Mitra:2009:QAP,% Oliva:2006:CSL,% Price:2005:DCB,% Remmert:2009:EAC,% Tran:2001:CATb,% Wang:2009:DLD,% Wiberg:2004:CES,% Yang:2006:MSC,% Wang:2001:APP% }. 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\NAMECITE{tautomerization}{% Balata:2003:SEG,% Balata:2004:ESE,% Balta:2004:SEG% }. \NAMECITE{tautomers}{% Haranczyk:2008:SSO,% Piacenza:2004:SQC% }. \NAMECITE{TCNE}{% Garcia-Yoldi:2007:OTE,% Tchougreeff:2008:CSC% }. \NAMECITE{{tCONCOORD}}{% Seeliger:2009:TGV% }. \NAMECITE{{tCONCOORD-GUI}}{% Seeliger:2009:TGV% }. \NAMECITE{{TD}}{% Chidthong:2007:ESP,% Santoro:2008:CTD% }. \NAMECITE{{TD-DFT}}{% Chidthong:2007:ESP,% Santoro:2008:CTD% }. \NAMECITE{{TDDFT}}{% Shukla:2004:TIN% }. \NAMECITE{{TDHF}}{% Quinet:2001:ATS,% Quinet:2002:ATS% }. \NAMECITE{Te}{% Honda:2008:ECD,% Wu:2007:ESC,% Hada:2001:QSN% }. \NAMECITE{technique}{% Chae:2001:FMS,% Gotz:2005:OAB,% Korchowiec:2009:ECT,% Sayyed-Ahmad:2004:EST,% Tafipolsky:2005:CRP% }. \NAMECITE{Techniques}{% Woods:2001:BRB,% Young:2011:CCP,% Anderson:2006:MSR,% Davila:2002:AMT,% Fajer:2009:UMF,% Koskowski:2005:TPF,% Periole:2009:PFE,% Poater:2001:PBL,% Vanden-Eijnden:2009:SRT,% Wei:2009:PCT,% vanGisbergen:2000:TEE% }. \NAMECITE{{Teller}}{% 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Campomanes:2005:SBR,% Pristovsek:2002:SSS,% Pristovsek:2006:SAP,% Saito:2007:NMD% }. \NAMECITE{tessellation}{% Li:2004:IEC,% Pomelli:2001:SAT% }. \NAMECITE{tessellationless}{% Pomelli:2004:TIG% }. \NAMECITE{test}{% Barone:2009:RET,% Bernal-Uruchurtu:2000:IDH,% Blomgren:2001:ETB,% Bohm:2006:CEF,% Chuev:2004:WAS,% Feixas:2008:PSA,% Kleinschmidt:2002:SOC,% Santoro:2008:CTD,% Shinoda:2003:RBD% }. \NAMECITE{Testing}{% Casadesus:2004:TES,% Babu:2003:IQO,% Prabhu:2004:ITS,% Wang:2004:DTG,% Wang:2005:EJW% }. \NAMECITE{tests}{% Kaminski:2002:DPF,% Nemukhin:2003:FEF% }. \NAMECITE{tetraammonium}{% Chaumont:2002:MQT% }. \NAMECITE{tetraazanaphthalenes}{% Cuesta:2006:DT% }. \NAMECITE{tetrachloride}{% Dobrogorskaia-Mereau:2005:QCM% }. \NAMECITE{tetracoordinate}{% Merino:2007:RAP,% Sateesh:2007:TDS,% Wang:2009:PPT% }. \NAMECITE{tetracyanoethylene}{% Li:2002:TIE% }. \NAMECITE{tetracyanoethylene-contained}{% Li:2002:TIE% }. \NAMECITE{tetracycline}{% Aleksandrov:2006:TMC,% Aleksandrov:2009:MMM% }. \NAMECITE{tetrads}{% Meyer:2005:ISP% }. \NAMECITE{tetrahedral}{% Lu:2002:GTN,% Otte:2009:FFP% }. \NAMECITE{tetrahydroimidazo}{% Sapre:2008:CMT% }. \NAMECITE{tetrahydroimidazo-}{% Sapre:2008:CMT% }. \NAMECITE{tetrahydroxouranylate}{% Infante:2006:QMS% }. \NAMECITE{tetramer}{% Rodriguez-Ropero:2008:ICS% }. \NAMECITE{Tetraoxide}{% Jorgensen:2012:LEC,% Song:2009:ETS% }. \NAMECITE{tetrapeptide}{% Distasio:2007:IAA% }. \NAMECITE{tetrapeptides}{% Gresh:2004:IIE% }. \NAMECITE{Tetrazine}{% Jorgensen:2012:LEC,% Song:2009:ETS,% Xie:2004:HBS% }. \NAMECITE{Tetrazino}{% Jorgensen:2012:LEC,% Song:2009:ETS% }. \NAMECITE{Tetrazino-Tetrazine-Tetraoxide}{% Jorgensen:2012:LEC,% Song:2009:ETS% }. \NAMECITE{tetrazole}{% deSouza:2009:CMC% }. \NAMECITE{{TGSA}}{% Girones:2001:TMS,% Girones:2004:TFE% }. \NAMECITE{{TGSA-Flex}}{% Girones:2004:TFE% }. \NAMECITE{{Th}}{% Noro:2007:RCB% }. \NAMECITE{their}{% Bachler:2004:SCS,% Bachler:2005:BTM,% Bachler:2007:ONA,% Bates:2008:MMS,% Busa:2009:ETM,% DeProft:2003:HPE,% Flocke:2008:EEI,% Grazioso:2008:ANA,% Jimenez-Halla:2009:TAT,% Jimenez-Halla:2011:ETA,% Lee:2009:SEE,% Owens:2005:SCE,% Pacios:2009:STB,% Sims:2004:COI,% Skowronek:2000:WDC,% Wang:2008:DSC,% Yang:2009:TSR,% Zhao:2004:ACT,% Zheng:2009:DSC% }. \NAMECITE{them}{% Yao:2005:CGR% }. \NAMECITE{theorem}{% Karafiloglou:2001:MCW,% Rico:2007:GBS% }. \NAMECITE{theoretic}{% Song:2004:PVB% }. \NAMECITE{Theoretical}{% Anonymous:2006:EFS,% Arnaud:2003:TSI,% Bao:2006:TSR,% Bharatam:2006:TSE,% Borosky:2003:TSC,% Brana:2003:TAM,% Choe:2007:TSE,% Claes:2003:TSI,% Claes:2004:TSI,% Corral:2008:TIA,% Crespo-Otero:2004:TMI,% Fan:2008:TSF,% Ferrante:2007:TSI,% Fores:2000:TCI,% Gao:2004:TSS,% Geng:2008:TER,% He:2005:TSR,% Headley:2000:TAF,% Isayev:2007:TCC,% Ishikawa:2009:TSP,% Ji:2008:TDS,% Jorgensen:2012:LEC,% Kan:2007:TIP,% Kan:2009:TPR,% Kobayashi:2001:TSE,% Kusama:2005:TSQ,% Lai:2008:TCH,% Li:2002:TIE,% Li:2007:TSV,% Liao:2008:TSP,% Lin:2002:TSS,% Liu:2002:TSMa,% Liu:2002:TSMb,% Liu:2008:TSS,% 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Wang:2009:FPS,% Wu:2007:ESC,% Zeng:2007:EAH,% Zhang:2001:CRE,% Zou:2009:CIC,% Helal:2002:ICS,% Higo:2001:CMM,% Higo:2002:HSH,% Lipkowitz:2000:BRB,% Maroulis:2003:IDE,% Stanton:2000:BRB,% Watanabe:2001:CXR% }. \NAMECITE{{X}-ray}{% Higo:2001:CMM,% Higo:2002:HSH,% Watanabe:2001:CXR% }. \NAMECITE{xanthate}{% Claes:2003:TSI% }. \NAMECITE{{}XCu}{% Kisowska:2008:SCB% }. \NAMECITE{xenobiotics}{% Pacios:2009:STB% }. \NAMECITE{xenon}{% Haiduke:2006:ARAa% }. \NAMECITE{{XES}}{% Endo:2001:AXX% }. \NAMECITE{{Xiang}}{% Anonymous:2006:EZX% }. \NAMECITE{Xinli}{% Jorgensen:2012:LEC% }. \NAMECITE{{XMVB}}{% Song:2005:XPI% }. \NAMECITE{{XPS}}{% Endo:2001:AXX% }. \NAMECITE{{X{}X}}{% Castillo:2008:BLE% }. \NAMECITE{{XXIII}}{% Jakli:2000:PMX% }. \NAMECITE{{XXXI}}{% Hudaky:2001:PMX% }. \NAMECITE{{XXXIII}}{% Perczel:2003:PMX% }. \NAMECITE{{XY}}{% Zhang:2001:CRE% }. \NAMECITE{xylose}{% Garcia-Viloca:2003:HTC% }. \NAMECITE{yield}{% Coutsias:2005:RSL% }. \NAMECITE{{YL}}{% Nakamura:2009:RKD% }. \NAMECITE{ylide}{% Lie:2008:DSS% }. \NAMECITE{ylides}{% Mitrasinovic:2001:QCP% }. \NAMECITE{Ylidic}{% Xie:2006:YRM% }. \NAMECITE{yloxy}{% Bohm:2007:IER% }. \NAMECITE{Yong}{% Anonymous:2006:EZX% }. \NAMECITE{young}{% Sarma:2000:LSY,% Woods:2001:BRB% }. \NAMECITE{ytterbium}{% Freire:2005:MLC% }. \NAMECITE{Z}{% Castillo:2008:BLE,% Prall:2001:SEB% }. \NAMECITE{zeolites}{% Larin:2008:EFC,% Sefcik:2002:DCE,% Tielens:2000:QCC% }. \NAMECITE{zeolitic}{% Tielens:2009:ERF% }. \NAMECITE{{Zerner}}{% Anonymous:2000:MMC% }. \NAMECITE{zero}{% Rodriguez:2009:EGB% }. \NAMECITE{zero-flux}{% Rodriguez:2009:EGB% }. \NAMECITE{zeta}{% Camiletti:2008:GBS% }. \NAMECITE{Zhang}{% Anonymous:2006:EZX% }. \NAMECITE{{Zhi}}{% Anonymous:2006:EZX% }. \NAMECITE{{Zhi-Xiang}}{% Anonymous:2006:EZX% }. \NAMECITE{Zinc}{% Catlow:2008:ZOC,% Brothers:2004:PCZ,% Elstner:2003:MZB,% Jug:2006:ASZ,% Jug:2008:IID,% Koca:2003:CNZ,% Roux:2007:BPD,% Sousa:2007:TSF,% Sousa:2009:CAP,% Suarez:2002:MDS% }. \NAMECITE{zinc-}{% Suarez:2002:MDS% }. 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