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\NAMECITE{acceptors}{% Nobeli:1997:HBP% }. \NAMECITE{accessibility}{% You:1995:AAR% }. \NAMECITE{accessible}{% Cohen:1995:LQE,% Fraczkiewicz:1998:EEA,% Fukunishi:1997:PMF,% Gogonea:1995:IAA,% Hermann:1997:MHS,% Perrot:1992:MPR,% Sridharan:1995:RMC,% Wang:1991:GSM,% Wang:1991:VAC,% Weiser:1998:ENL,% Weiser:1998:NLR,% Weiser:1999:OGS,% Zachmann:1993:SSS% }. \NAMECITE{{Accompanying}}{% Ishida:1998:RAC% }. \NAMECITE{account}{% Zacharias:1999:HMV% }. \NAMECITE{Accuracy}{% Carlson:1993:AFE,% Augspurger:1997:AAR,% Bruccoleri:1997:FDP,% Davis:1991:DBS,% Genest:1999:CMA,% Helms:1997:FEH,% Hertwig:1995:ADF,% Shen:1996:EBE,% Reva:1996:LMA% }. \NAMECITE{Accurate}{% Chesnut:1996:AEC,% Dudek:1995:AMI,% Marynick:1997:AMEa,% Marynick:1997:AMEb,% Marynick:1998:AME,% Mitin:1997:AAG,% Komeiji:1997:FAM,% Korek:1992:HAD,% Martin:1991:CCM,% Orozco:1990:UAM,% Price:1991:TAT,% Purisima:1995:SYA,% Sokalski:1992:CAM,% Takashima:1999:LSI,% Taverner:1996:IAA,% Wang:1994:ACD% }. \NAMECITE{acetamide}{% Cieplak:1991:UEP% }. \NAMECITE{acetate}{% Liang:1995:FFS% }. \NAMECITE{acetic}{% Mooij:1998:CSP,% Payne:1998:GCS% }. \NAMECITE{acetyl}{% Hlavacek:1991:MSC,% Sulzbach:1997:NCS% }. \NAMECITE{acetylacetone}{% Hinsen:1997:PFC,% Sharafeddin:1997:MQC% }. \NAMECITE{acetylalanylglycine}{% Sapse:1990:SEL% }. \NAMECITE{acetylaminofluorene}{% Fritsch:1991:MMD% }. \NAMECITE{acetylene}{% Lopez:1996:ISF% }. \NAMECITE{achieved}{% Bruccoleri:1997:FDP% }. \NAMECITE{acid}{% Al-Laham:1991:ISA,% Alagona:1991:FFP,% Beroza:1996:CAA,% Donini:1998:DMF,% Harris:1998:PEF,% Hlavacek:1991:MSC,% Katagi:1990:ASA,% Lagant:1991:UUR,% Magnuson:1998:TSD,% Mooij:1998:CSP,% Norris:1993:TSP,% Payne:1998:GCS,% Price:1991:TAT,% Ritchie:1995:CPD,% Russo:1998:PTC,% Santamaria:1994:SEP,% Santamaria:1999:VSN,% Tomimoto:1996:CAN% }. \NAMECITE{acid-catalyzed}{% Katagi:1990:ASA% }. \NAMECITE{acidic}{% Greatbanks:1997:CEC% }. \NAMECITE{acidities}{% Kass:1990:HAC,% Wiberg:1996:SEC% }. \NAMECITE{acidity}{% Karaman:1990:CAS,% 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\NAMECITE{acyl-chymotrypsin}{% Tong:1995:RCI% }. \NAMECITE{ad}{% Martin:1991:CCM% }. \NAMECITE{Adaptation}{% Earl:1990:ADI,% Zhou:1994:SLM% }. \NAMECITE{Adapted}{% Jorge:1998:AGB,% Derreumaux:1994:TNM% }. \NAMECITE{Adaptive}{% Baeza:1992:SAT,% Bartels:1997:MAU,% Fenley:1996:FAM,% Fischer:1998:HMC,% Hu:1999:RGF,% Kulver:1990:FEC,% Lensink:1996:SIM,% Vorobjev:1997:FAM,% Wang:1997:PPC% }. \NAMECITE{addition}{% Jursic:1996:ISH,% Liu:1994:CMM,% Liwo:1997:MSS,% Menendez:1995:TSG,% Sola:1990:ISS,% Ventura:1992:AGP% }. \NAMECITE{additional}{% Halgren:1996:MMFe% }. \NAMECITE{Additions}{% Anonymous:1997:ACF% }. \NAMECITE{additive}{% Dixon:1997:ABA% }. \NAMECITE{additivity}{% Dewar:1990:VPC,% Ignacio:1991:ABS% }. \NAMECITE{adenine}{% Kozelka:1993:FFP,% Russo:1998:PTC% }. \NAMECITE{adenosine}{% Hansen:1990:FEP% }. \NAMECITE{adiabatic}{% Adamo:1998:IVL,% Braga:1996:NFG,% Crouzy:1999:ECT% }. \NAMECITE{adjacent}{% Murcko:1993:CAH% }. \NAMECITE{adjusted}{% Stanton:1990:EAN% }. \NAMECITE{adjustment}{% Clark:1995:FLD% }. \NAMECITE{adopting}{% Forster:1994:RNO% }. \NAMECITE{Adsorption}{% Juffer:1996:APC,% Sordo:1990:TSA,% Svensson:1996:CNS,% Szombathely:1992:SAI% }. \NAMECITE{advances}{% Nagase:1998:RAS% }. \NAMECITE{Advancing}{% Dixon:1997:ABA% }. \NAMECITE{affecting}{% Bonati:1992:MEP% }. \NAMECITE{affinities}{% Kabir:1991:ISP,% Pointet:1997:PAP,% Schmiedekamp:1994:TPA,% Szafran:1991:PSP,% Voets:1990:TSP,% Ziegler:1992:EME% }. \NAMECITE{affinity}{% Alkorta:1993:CME,% Roszak:1990:MCC% }. \NAMECITE{against}{% Costa:1997:CAS% }. \NAMECITE{aggregates}{% Higo:1994:STD% }. \NAMECITE{agonists}{% Arteca:1991:TAM,% Gaedt:1998:CVF% }. \NAMECITE{AID}{% Anonymous:2015:ECG,% Salzner:1990:NSP% }. \NAMECITE{AID-JCC10}{% Anonymous:2015:ECG% }. \NAMECITE{aided}{% Valle:1999:MAC% }. \NAMECITE{Alanine}{% Hobza:1991:ILA,% Kitao:1991:CDP,% Philipp:1999:MIQ,% Ridard:1999:EAC,% Smart:1997:CSP,% Wan:1997:SDS,% Hobza:1991:ILA% }. \NAMECITE{alcohol}{% vonOnciul:1993:MOS% }. \NAMECITE{alcohols}{% Vazquez:1991:MMS,% Vazquez:1992:MMS,% vonOnciul:1993:MOS% }. \NAMECITE{aldehydes}{% Dinur:1995:GDA% }. \NAMECITE{{Alder}}{% Lenz:1990:FFC,% Salzner:1997:IID% }. \NAMECITE{Alfred}{% Taylor:1999:BRB% }. \NAMECITE{algebra}{% Jemmer:1997:SAM,% Jemmer:1998:SAF% }. \NAMECITE{algebraic}{% Ramasesha:1990:NAS% }. \NAMECITE{Algorithm}{% Milik:1997:ARR,% Valdes-Perez:1992:AGR,% Valdes-Perez:1993:ATS,% Valdes-Perez:1994:AIS,% Bartels:1997:GGA,% Bishop:1997:DMT,% Bour:1997:TMP,% Braga:1996:NFG,% Carbo:1992:CAP,% Cioslowski:1996:EAQ,% Clamp:1994:HMC,% Crippen:1992:CSG,% Eichinger:1997:FAR,% Fulscher:1993:ERI,% Furlani:1995:IPD,% Gagliardi:1997:DLA,% Gibson:1994:APR,% Gibson:1994:REA,% Gogonea:1995:IAA,% Gunn:1996:PIP,% Hansmann:1993:PPC,% Hartke:1999:GCG,% Heiden:1993:FGM,% Hu:1999:RGF,% Ishida:1998:RAC,% Janak:1992:PCPa,% Janak:1992:PCPb,% Jin:1997:DNG,% Jin:1999:TVG,% Jones:1993:PSM,% Judson:1993:CSM,% Kearsley:1990:ASS,% Kinoshita:1997:CHF,% Koslowski:1993:LCL,% Kulver:1990:FEC,% Leach:1990:ACA,% 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Nevins:1996:MMMa,% Nevins:1996:MMMc,% Schmitz:1994:HFO% }. \NAMECITE{alkyl}{% Briggs:1990:MCS,% Carballeira:1990:DAM,% Chen:1993:MMS,% Chen:1994:MSA,% Lee:1990:TSI,% Liu:1994:MMM,% Maple:1994:DCI,% Teixeira-Dias:1991:CBI% }. \NAMECITE{all-atom}{% Damm:1997:OAA% }. \NAMECITE{all-electron}{% Smart:1995:ESS,% Styszynski:1997:RAE,% VanWullen:1999:RAE% }. \NAMECITE{Allinger}{% Anonymous:1997:ACF,% Bowen:1998:PCL% }. \NAMECITE{allocation}{% Goede:1997:VCN% }. \NAMECITE{allopurinol}{% Costas:1999:DFS% }. \NAMECITE{alloys}{% Clare:1996:SIS% }. \NAMECITE{allyl}{% Lee:1995:IMO,% Reindl:1997:EFFb% }. \NAMECITE{alpha}{% Jones:1991:ALA,% Milik:1997:ARR% }. \NAMECITE{alpha-function}{% Jones:1991:ALA% }. \NAMECITE{alteration}{% Severance:1995:GAS% }. \NAMECITE{Alternate}{% Casti:1989:ARM,% Garst:1990:BRB% }. \NAMECITE{Alternative}{% Chipot:1996:AAP,% Swope:1992:AEE,% Amat:1998:MQS,% Guo:1991:ASI,% Tolosa:1991:CSP% }. \NAMECITE{aluminum}{% Williams:1996:IMS% }. \NAMECITE{AM1}{% Brewster:1991:RBI,% Janoschek:1994:CRO,% Stewart:1990:RCC,% Csonka:1993:ACR,% Davis:1991:HSA,% Dewar:1990:CCA,% Fabian:1991:TEH,% Fagerburg:1991:CAI,% Ferenczy:1990:SAE,% Ford:1993:NAR,% Frau:1992:TCL,% Frau:1993:TCL,% Furuki:1995:ARF,% Gano:1991:EPA,% Gorse:1994:UFP,% Griffin:1993:EAC,% Gundertofte:1991:CCE,% Hobza:1997:PEP,% Karaman:1990:CAS,% Karaman:1991:CST,% Kass:1990:HAC,% Katagi:1990:ASA,% Khalil:1991:EIM,% Luque:1994:OAM,% Marti:1992:VSE,% Martin:1991:CCM,% Orozco:1990:UAM,% Rauhut:1993:MPC,% Smith:1992:SSA,% Sotomatsu:1991:TCS,% Voets:1990:TSP,% Wang:1994:ACD,% Welsh:1990:AMO% }. \NAMECITE{{AM1}-calculated}{% Griffin:1993:EAC% }. \NAMECITE{{AM1/MST}}{% Luque:1994:OAM% }. \NAMECITE{{AMBER}}{% Cannon:1993:AFF,% Debolt:1993:AMP,% Hobza:1997:PEP,% Huige:1995:FFP,% Swanson:1995:PAP% }. \NAMECITE{{AMBER4}}{% Vincent:1995:HPP% }. \NAMECITE{{AMBERCUBE}}{% Debolt:1993:AMP% }. \NAMECITE{ameliorate}{% Salzner:1997:DLB% }. \NAMECITE{amide}{% Kontoyianni:1992:IMMb,% Murcko:1993:CAH,% Sapse:1990:SEL% }. 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Froimowitz:1993:CAC% }. \NAMECITE{analogs}{% Bodor:1991:PPC,% Cannon:1993:AFF,% Payne:1998:GCS,% Sulkes:1995:CAJ% }. \NAMECITE{analogue}{% Cummins:1990:MAB% }. \NAMECITE{analogues}{% Dowd:1992:CAT,% Herrmann:1995:EMP% }. \NAMECITE{analyses}{% Kurita:1994:DAI,% Kurita:1995:EDA% }. \NAMECITE{Analysis}{% Bofill:1995:AUH,% Bofill:1998:ACG,% Bravi:1997:SSO,% Campbell:1996:APH,% Csonka:1993:ACR,% French:1994:ARF,% McGarrah:1993:AGA,% Merz:1992:ALD,% Sustmann:1992:AID,% Ventura:1992:AGP,% Agarwal:1993:DQI,% Alagona:1990:CSI,% Alkorta:1993:CAT,% Alsberg:1996:UMM,% Arteca:1991:TAM,% Arteca:1994:SAH,% Assfeld:1994:TAR,% Baginki:1993:EGP,% Beckers:1998:MAD,% Berg:1996:MMC,% Beroza:1996:CAA,% Bohm:1990:DAC,% Breneman:1990:DAC,% Breneman:1997:QAH,% Brooks:1995:HAL,% Brotherus:1999:IPR,% Cavasotto:1991:EEE,% Colonna:1992:CAE,% Costa:1997:CAS,% Delfini:1996:PAD,% Dowd:1992:CAT,% Duong:1997:CAL,% Fausto:1992:CAC,% Ferguson:1992:CIS,% Fernandez:1991:MMM,% Ferro:1997:IFF,% Fischer:1998:HMC,% 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Gagliardi:1997:DLA,% Giordan:1997:BSM,% Gonzalez:1997:HLI,% Hansen:1990:FEP,% Hernandez:1999:ICG,% Hill:1997:UTP,% Hofmann:1990:CNU,% Horn:1991:PTE,% Huige:1995:FFP,% Illas:1993:BMH,% Jaime:1990:MCM,% Janak:1992:PCPa,% Janak:1992:PCPb,% Janoschek:1994:CRO,% Jemmer:1998:SAF,% Jensen:1991:SUM,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Kaupp:1990:PCM,% Kennedy:1999:USH,% Kindermann:1992:PQM,% Kontoyianni:1992:IMMa,% Kozmutza:1991:CCC,% Kumar:1992:WHA,% Kumar:1995:MFE,% Kumar:1996:MFE,% Kurita:1992:CAH,% Lee:1993:MSC,% Lee:1997:NOM,% Li:1998:IEP,% Liang:1997:ICM,% Liu:1994:MMM,% Llamas-Saiz:1995:GPT,% Luque:1998:PEG,% Luty:1992:EEC,% Luzhkov:1992:MMQ,% Magnusson:1993:CCE,% Martinez-Nunez:1997:CAM,% McEachern:1991:ICC,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Mitchell:1991:FED,% Mitin:1998:CRE% }. \NAMECITE{calculations}{% Moscardo:1998:SCFa,% Moscardo:1998:SCFb,% Musolino:1990:ESP,% Nevins:1996:MMMa,% Nevins:1996:MMMb,% Nevins:1996:MMMc,% Nguyen:1997:DFS,% Oberlin:1998:BSM,% Orozco:1995:DOM,% 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Jones:1991:TKI,% Liu:1991:GCC,% Liu:1991:SAC,% Milik:1997:ARR,% Norris:1993:TSP,% Peyman:1992:MRP,% Rey:1992:EAR,% Martin:1991:CCM% }. \NAMECITE{carbon-cage}{% Liu:1991:GCC% }. \NAMECITE{carbon-carbon}{% Fagerburg:1991:CAI% }. \NAMECITE{carbonyl}{% Fausto:1992:CAC,% Fourre:1999:ELF,% Lee:1997:TSK,% Lommerse:1997:HBC% }. \NAMECITE{carbonylation}{% Ibrahim:1992:VII% }. \NAMECITE{carbonyloxide}{% Baboul:1998:CSN% }. \NAMECITE{carbonyls}{% Teixeira-Dias:1991:CBI% }. \NAMECITE{carboxylate}{% Pranata:1993:RBC,% Tong:1995:RCI% }. \NAMECITE{carboxylic}{% Lensink:1999:SSR,% Allinger:1992:HFO% }. \NAMECITE{carboxypeptidase}{% Alex:1992:MSE% }. \NAMECITE{cardiotoxin}{% Sun:1999:PMD% }. \NAMECITE{Carlo}{% Colominas:1999:MCM,% Briggs:1990:MCS,% Caflisch:1997:DMC,% Carlacci:1996:LPP,% Chiu:1999:ACM,% Clamp:1994:HMC,% Duca:1998:MCM,% Dumont:1991:MMC,% Dunn:1992:RSS,% Dykstra:1997:QMC,% Evans:1998:OEP,% Fajardo:1997:MCS,% Fischer:1998:HMC,% Gabb:1995:ECS,% Gabb:1997:CVM,% Ghomi:1994:MCS,% 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Sunada:1995:SAP% }. \NAMECITE{CASE}{% Klopman:1991:CAS,% Adamo:1997:CBS,% Barone:1994:MIP,% Imberty:1990:RPE,% Judson:1995:DFM,% Papadakis:1997:CLS,% Ramirez:1994:TSQ,% Sun:1992:CSE,% Chipot:1996:AAP% }. \NAMECITE{{CASPT2}}{% Fores:1999:CCS% }. \NAMECITE{{CASSCF}}{% Cullen:1999:GCS,% Fores:1999:CCS% }. \NAMECITE{{CASSCF-CASPT2}}{% Fores:1999:CCS% }. \NAMECITE{Casti}{% Garst:1990:BRB% }. \NAMECITE{catalysis}{% Greatbanks:1997:CEC,% Ventura:1992:AGP% }. \NAMECITE{catalyst}{% Duca:1998:MCM% }. \NAMECITE{Catalytic}{% Adamo:1997:CBS,% Menendez:1995:TSG,% vonOnciul:1993:MOS% }. \NAMECITE{catalyzed}{% Katagi:1990:ASA% }. \NAMECITE{cation}{% Bauld:1990:TRP,% Donini:1998:DMF,% Dorigo:1994:SLN,% Fourre:1999:ELF,% Griffin:1993:EAC,% Liu:1992:IES,% Maye:1991:HGP,% Roux:1995:PEF,% Varnek:1996:TCE% }. \NAMECITE{cations}{% Ford:1992:OEC,% Furuki:1995:ARF,% Leuwerink:1993:MDC,% Lopez:1995:ESWa,% Lopez:1995:ESWb,% Reindl:1997:EFFa,% Reindl:1997:EFFb,% Reindl:1998:MMI,% Ventura:1996:DFS% }. \NAMECITE{cautionary}{% Hofmann:1990:CNU% }. \NAMECITE{cavities}{% Alard:1991:DCS,% Bachs:1994:OSC,% Pomelli:1999:EGM% }. \NAMECITE{cavity}{% Comba:1999:CCS,% Cossi:1998:CCI,% Ford:1992:OEC,% Fox:1993:ESE,% delValle:1992:CSE% }. \NAMECITE{cavity-induced}{% Cossi:1998:CCI% }. \NAMECITE{{CCl}}{% Luque:1996:EMS% }. \NAMECITE{{Cd}}{% Flores:1994:HPA,% Gresh:1996:CBE,% Stewart:1991:OPS% }. \NAMECITE{{CdS}}{% Toth:1993:MCS% }. \NAMECITE{cell}{% Goede:1997:VCN,% Salzner:1990:NSP% }. \NAMECITE{cellobiose}{% Hardy:1993:CAM,% Hardy:1993:MDS% }. \NAMECITE{cellooligomers}{% Hardy:1993:CAM% }. \NAMECITE{cells}{% Stewart:1998:SGU% }. \NAMECITE{center}{% Cesco:1995:NET,% Cisneros:1993:ISO,% Frye:1991:HCM,% Gabdoulline:1995:ECC,% Heidrich:1993:IMM,% Jones:1991:ALA,% Shen:1990:PEC,% Zhou:1994:SLM% }. \NAMECITE{centered}{% Breneman:1990:DAC,% Dixon:1997:ABA% }. \NAMECITE{centers}{% McEachern:1991:ICC% }. \NAMECITE{centrifugal}{% Korek:1992:HAD% }. \NAMECITE{{CEPA}}{% Vos:1990:SMC% }. \NAMECITE{{CEPA-1}}{% Vos:1990:SMC% }. \NAMECITE{cephalothin}{% Frau:1993:TCL% }. \NAMECITE{cerium}{% Jorge:1997:UGB% }. \NAMECITE{{CF}}{% Boldyrev:1992:IIS,% Kaupp:1999:RTN% }. \NAMECITE{{CFF95}}{% Hobza:1997:PEP% }. \NAMECITE{CFT}{% Froimowitz:1993:CAC% }. \NAMECITE{CH}{% Bickelhaupt:1995:TIR,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Krol:1990:AEI,% Luke:1994:SCC,% Smith:1991:CPX,% Speis:1992:BSC,% Teixeira-Dias:1991:CBI,% Versteeg:1994:VIC,% Arnaud:1994:ISS,% Bock:1992:EIR,% Boldyrev:1992:IIS,% Daura:1998:PAC,% Lopez:1996:ISF,% Luke:1994:SCC,% Masamura:1999:IMO,% Schleyer:1992:DCP,% Teixeira-Dias:1991:CBI% }. \NAMECITE{chabazite}{% Greatbanks:1997:CEC% }. \NAMECITE{chain}{% Bartels:1997:MAU,% David:1993:SSC,% Depner:1992:MDS,% Galiatsatos:1990:EFL,% Hlavacek:1991:MSC,% Kono:1996:NMS,% Kovalenko:1999:STD,% Lemak:1996:MDS,% Liwo:1997:URFa,% Pappu:1996:EMR,% Rauhut:1996:CID,% Reindl:1997:EFFa,% Tuffery:1993:CCS,% Velikson:1992:CDH,% Palmer:1991:SGC% }. \NAMECITE{chains}{% Gibson:1994:REA,% Gronbech-Jensen:1994:LTO,% Hardy:1994:CSH,% Palmer:1991:SGC,% Palmer:1992:SGC% }. \NAMECITE{chair}{% Howard:1995:MMM% }. \NAMECITE{change}{% Spassov:1999:MSL% }. \NAMECITE{changes}{% Ferguson:1992:FEP,% Radmer:1997:FEC,% Santamaria:1994:SEP,% Walker:1995:ASG% }. \NAMECITE{channels}{% Liu:1998:TIU% }. \NAMECITE{character}{% Chen:1998:PSP,% Lensink:1999:SSR,% Liu:1990:CGC% }. \NAMECITE{characteristic}{% Balasubramanian:1991:CCP,% Dauber-Osguthorpe:1993:PMM,% Venuvanalingam:1991:PAC,% Zivkovic:1990:ECP% }. \NAMECITE{Characterization}{% Trinajstic:1991:CCG,% Williams:1993:CFF,% Boehm:1991:ICS,% Walker:1991:CSC,% Halgren:1999:MVC,% Stouch:1991:SLC% }. \NAMECITE{Charge}{% Schaumberger:1992:CDP,% Acioli:1999:ICT,% Antosiewicz:1996:CIS,% Beck:1994:NAO,% Bruccoleri:1997:FDP,% Bush:1999:CBC,% Clare:1994:ECB,% Dixon:1992:ACC,% Fortunelli:1991:SRP,% Houser:1992:REC,% Koch:1995:IDM,% Kovalenko:1999:STD,% Luty:1992:EEC,% Mizan:1996:CRF,% Nonella:1997:ECD,% Pacios:1995:ARS,% Parusel:1998:TDS,% Pavankumar:1999:CIQ,% Price:1991:TAT,% Rauhut:1993:MPC,% Reddy:1998:SFE,% Ritchie:1995:CPD,% Sierraalta:1994:CSE,% Sines:1992:KEM,% Sokalski:1992:CAM,% Sokalski:1993:MCA,% Walker:1991:CSC,% Williams:1994:FNA,% Williams:1999:SCM,% Young:1997:BMC,% Cieplak:1995:AMM% }. \NAMECITE{charged}{% AAqvist:1996:CAB,% Bartolotti:1991:LRN,% Juffer:1996:APC,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Mullay:1991:SMC,% Rabinowitz:1998:IBC% }. \NAMECITE{Charges}{% Ferenczy:1991:CDD,% Francl:1996:CFE,% Bakowies:1996:STE,% Beck:1997:VNF,% Besler:1990:ACD,% Cammi:1995:RUA,% Carlson:1993:AFE,% Cieplak:1991:UEP,% Coitino:1995:ESP,% Cossi:1998:CCI,% Dinur:1995:GDA,% Dixon:1993:EOO,% Ferenczy:1990:SAE,% FloriaN:1994:VAC,% Gorse:1994:UFP,% Gruschus:1990:PCM,% Henchman:1999:FEH,% Henchman:1999:GOL,% Li:1998:CSU,% Marynick:1997:AMEa,% Marynick:1998:AME,% Merz:1992:ALD,% Mullay:1991:SMC,% Orozco:1990:UAM,% Park:1993:DNA,% Park:1995:DNA,% Rashin:1991:NMC,% Ridard:1999:EAC,% Shen:1990:PEC,% Sigfridsson:1998:CMD,% Sousa:1993:MFO,% Spackman:1996:PDC,% St-Amant:1995:CMG,% Sternberg:1994:NAS,% Stouch:1992:CDE,% Stouch:1993:CDE,% Su:1993:NMD,% Tasi:1992:RMA,% Urban:1993:CDE,% Wang:1994:ACD,% Westbrook:1992:MEP,% Wiberg:1993:CAC,% Winn:1999:TIF,% Woods:1990:DNA% }. \NAMECITE{{CHARMM}}{% Derreumaux:1994:TNM,% Hobza:1997:PEP,% Momany:1990:UCD,% Huige:1995:FFP,% Nicklaus:1997:CEC% }. \NAMECITE{{CHARMm\reg}}{% Momany:1992:VGP% }. \NAMECITE{{CHCFO}}{% Bock:1992:EIR% }. \NAMECITE{Chem}{% Anonymous:1997:ACF% }. \NAMECITE{Chemical}{% Chermette:1999:CRI,% Chesnut:1991:CSB,% Rouvray:1990:CCG,% Trinajstic:1991:CCG,% Buhl:1998:TIN,% Buhl:1999:DRN,% El-Nahas:1998:QCS,% Gaedt:1998:CVF,% Gastreich:1998:IPN,% Hobza:1997:PEP,% Holmes:1991:ASC,% Jemmer:1997:SAM,% Jensen:1998:IQC,% Kaupp:1999:RTN,% Llusar:1999:TAE,% Luzhkov:1992:MMQ,% Pacchioni:1997:IMP,% Paizs:1997:ESD,% Patchkovskii:1999:NCS,% Ponec:1999:EPC,% Randic:1992:BRB,% Salzner:1990:NSP,% Sulzbach:1997:NCS,% Szafran:1993:RSE,% Tiraboschi:1999:JQC,% Toth:1993:MCS,% Venuvanalingam:1991:PAC,% Wolinski:1997:MPC,% Wu:1996:DBD,% Zivkovic:1990:ECP,% Glendening:1998:NRTc% }. \NAMECITE{chemical-kinetic}{% Jemmer:1997:SAM% }. \NAMECITE{chemically}{% Takashima:1999:LSI% }. \NAMECITE{chemisorption}{% Illas:1993:BMH,% Toth:1993:MCS% }. \NAMECITE{chemist}{% Bowen:1998:PCL% }. \NAMECITE{Chemistry}{% Anonymous:2015:ECG,% Dyall:1998:RRE,% Merrifield:1989:TMC,% Boehm:1997:TSB,% Boyd:1991:MSD,% Dappen:1990:CCA,% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Feller:1996:RDS,% Foster:1996:THP,% Haddon:1998:OCF,% Harrison:1996:THP,% Pan:1998:PID,% Rogers:1990:CCU,% Rogers:1994:CCU,% Rogers:2003:CCU,% Sosa:1998:IQC,% Tong:1992:ARE,% Tratch:1990:CMA,% Varnali:1992:BRB,% Zhou:1997:BRB,% Christiansen:1990:BRB,% Mezey:1991:BRB% }. \NAMECITE{Chemists}{% Zupan:1989:AC,% Goldstein:1992:BRB% }. \NAMECITE{chemometric}{% deAzevedo:1996:CAI% }. \NAMECITE{{ChemX}}{% Gundertofte:1991:CCE% }. \NAMECITE{{CHF}}{% Speis:1992:BSC% }. \NAMECITE{{CHFN}}{% Boldyrev:1992:IIS% }. \NAMECITE{chicken}{% Leach:1995:MDS% }. \NAMECITE{Chiral}{% Polavarapu:1993:CFC,% Dappen:1990:CCA% }. \NAMECITE{{chloranil}}{% Kurita:1994:DAI,% Kurita:1995:EDA% }. \NAMECITE{chloride}{% Ivanov:1991:MMM% }. \NAMECITE{chlorides}{% Williams:1996:IMS% }. \NAMECITE{chlorinated}{% Rabinowitz:1998:IBC% }. \NAMECITE{chloroform}{% Dunn:1992:RSS,% Suto:1991:PCA,% Varnek:1996:TCE,% Varnek:1998:VWH% }. \NAMECITE{chloroform/water}{% Dunn:1992:RSS% }. \NAMECITE{chloroformaldehyde}{% Ventura:1996:DFS% }. \NAMECITE{chlorosilatrane}{% Csonka:1996:SCI% }. \NAMECITE{{CHO}}{% Lopez:1999:ISR% }. \NAMECITE{choice}{% Ionova:1996:EVC% }. \NAMECITE{choices}{% Boggs:1999:GPM% }. \NAMECITE{cholesterol}{% Liang:1995:FFS% }. \NAMECITE{cholesteryl}{% Liang:1995:FFS% }. \NAMECITE{chromium}{% VanWullen:1997:MSB% }. \NAMECITE{chromophore}{% Nonella:1997:ECD% }. \NAMECITE{chromophores}{% Chen:1995:MSA% }. \NAMECITE{chymotrypsin}{% Tong:1995:RCI% }. \NAMECITE{{CI}}{% Barclay:1991:MCP,% Baumann:1999:PGO,% Cullen:1999:GCS,% Frye:1991:HCM,% Grimme:1994:MCS,% Panin:1996:DCM,% Potter:1991:GOS,% Roszak:1990:MCC,% Sanz:1990:TAE,% Wang:1992:NRL% }. \NAMECITE{{CICADA}}{% Koca:1995:CAF,% Matyska:1994:DCS% }. \NAMECITE{circuit}{% Klein:1991:MBC% }. \NAMECITE{cis}{% Amat:1999:FED,% Cieplak:1991:UEP% }. \NAMECITE{cis-}{% Cieplak:1991:UEP% }. \NAMECITE{cisplatin}{% Pavankumar:1999:CIQ% }. \NAMECITE{Cl}{% Alikhani:1998:DPS,% Bickelhaupt:1995:TIR,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Schreckenbach:1999:DFC,% Smith:1991:CPX,% Boehm:1997:TSB,% Buchachenko:1996:DAQ% }. \NAMECITE{class}{% Maple:1994:DCI,% Maple:1998:DCI% }. \NAMECITE{classical}{% Berweger:1997:FEI,% Hu:1991:VGM,% Kerdcharoen:1996:BMD,% Lensink:1996:SIM,% Salazar:1998:GMT,% Sharafeddin:1997:MQC% }. \NAMECITE{classical/quantum}{% Berweger:1997:FEI% }. \NAMECITE{classification}{% Ihlenfeldt:1994:HCI% }. \NAMECITE{clay}{% Teppen:1998:MDS% }. \NAMECITE{cleavage}{% Alex:1992:MSE,% Benassi:1993:CPH,% Calvo-Losada:1998:RAI% }. \NAMECITE{{CLOPPA}}{% Cavasotto:1991:EEE% }. \NAMECITE{closed}{% Gibson:1997:EMR,% Han:1998:SOE,% Lukes:1999:PFD,% Pisani:1994:RDF,% Toth:1993:MCS% }. \NAMECITE{closed-ring}{% Toth:1993:MCS% }. \NAMECITE{closed-shell}{% Han:1998:SOE,% Lukes:1999:PFD,% Pisani:1994:RDF% }. \NAMECITE{closest}{% Salomon:1999:CSM% }. \NAMECITE{{Closo}}{% Torre:1999:NNB% }. \NAMECITE{{Closo-Boranes}}{% Torre:1999:NNB% }. \NAMECITE{closure}{% Palmer:1991:SGC,% Wedemeyer:1999:EAL,% Zheng:1993:LCB% }. \NAMECITE{cloth/\$89}{% Davidson:1997:BRB% }. \NAMECITE{Cluster}{% Bravi:1997:SSO,% Shenkin:1994:CAM,% Cioslowski:1993:BPF,% Clare:1993:SEV,% Greatbanks:1997:CEC,% Hartke:1999:GCG,% Hernandez:1999:ICG,% Illas:1993:BMH,% Noga:1999:ABL,% Reis:1999:NOP,% Rendell:1993:DDP,% Sousa:1993:MFO,% Toth:1993:MCS% }. \NAMECITE{clustered}{% Besalu:1998:CCE% }. \NAMECITE{clustering}{% Alsberg:1995:FFM,% Spassov:1999:MSL,% Torda:1994:ACM,% VanEijck:1997:FCE% }. \NAMECITE{clusters}{% Arteca:1994:SAH,% Brode:1993:PDS,% Dykstra:1997:QMC,% Gu:1998:SSB,% Head:1990:POL,% Hobza:1995:DFT,% Jurema:1993:MMW,% Kato:1991:SSB,% Li:1998:CSU,% Maerker:1997:CAE,% Martin:1991:CCM,% Niesse:1997:GOA,% Pillardy:1997:STG,% Swanson:1995:PAP,% Tatewaki:1996:ASR,% Toth:1993:MCS,% Urbina-Villalba:1992:SSE% }. \NAMECITE{{CN}}{% Dorigo:1994:SLN% }. \NAMECITE{{CNDO}}{% Baumann:1999:PGO% }. \NAMECITE{{CNDO/S}}{% Baumann:1999:PGO% }. \NAMECITE{CO}{% Vos:1990:SMC,% Davidson:1997:BRB,% Griffith:1997:MMS,% Biemolt:1994:PES,% McEachern:1991:ICC,% Chang:1992:PRO% }. \NAMECITE{coarse}{% Luthi:1992:CGP% }. \NAMECITE{coarse-grain}{% Luthi:1992:CGP% }. \NAMECITE{cobalt}{% Urbina-Villalba:1992:SSE% }. \NAMECITE{cobra}{% Sun:1999:PMD% }. \NAMECITE{cocaine}{% Froimowitz:1993:CAC,% Villar:1990:CSC,% Wu:1991:STS% }. \NAMECITE{code}{% Earl:1990:ADI,% Li:1995:PIM,% Mainz:1997:EPG,% Roccatano:1998:DPM% }. \NAMECITE{codes}{% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Franke:1998:FOR,% Ihlenfeldt:1994:HCI% }. \NAMECITE{coefficient}{% Klopman:1991:CAS% }. \NAMECITE{coefficients}{% Bodor:1991:PPC,% Genest:1999:CMA,% Morales:1992:GED% }. \NAMECITE{Collective}{% Gabb:1997:CVM,% Trosset:1999:FDS% }. \NAMECITE{Collective-variable}{% Gabb:1997:CVM% }. \NAMECITE{collision}{% Braga:1996:NFG% }. \NAMECITE{collisional}{% Lemak:1996:MDS% }. \NAMECITE{{COLUMBUS}}{% Dachsel:1997:MPM% }. \NAMECITE{column}{% Breneman:1997:QAH% }. \NAMECITE{combination}{% Dudek:1990:PSP,% Dudek:1998:PSP,% Hunger:1999:OAF,% Koslowski:1993:LCL% }. \NAMECITE{combinations}{% Flores:1992:LCI,% Weiser:1999:AAS% }. \NAMECITE{Combinatorial}{% Tratch:1990:CMA,% Gordon:1998:RPE% }. \NAMECITE{Combined}{% Badertscher:1990:CAP,% Liu:1994:CMM,% Rauhut:1996:CID,% Yin:1998:CIS,% Bakowies:1996:STE,% Berweger:1997:FEI,% Chiu:1999:ACM,% Cummins:1990:MAB,% Cummins:1998:MDF,% Erion:1995:CRF,% Field:1990:CQM,% Freindorf:1996:OLJ,% Furuki:1994:GPR,% Pitarch:1999:MLI,% Gresh:1996:CBE,% Sygula:1992:PRI% }. \NAMECITE{Combining}{% Eichler:1997:CIT,% Waldman:1993:NCR,% Zhang:1993:LNA,% Wagner:1999:ISM% }. \NAMECITE{CoMFA}{% Yoo:1995:PLE% }. \NAMECITE{Comment}{% Scarsi:1999:CVC% }. \NAMECITE{Comments}{% Balasubramanian:1991:CCP,% Dewar:1990:CCA,% Stewart:1990:RCC,% Donini:1998:DMF,% Holder:1993:FCL% }. \NAMECITE{commonly}{% Komatsu:1996:QCF% }. \NAMECITE{Compact}{% Binning:1990:CCB,% Hernandez:1999:ICG% }. \NAMECITE{Comparative}{% Alagona:1990:CSI,% Alkorta:1993:CSB,% Gresh:1996:CBE,% Harris:1996:CSF,% Klepeis:1999:CSG,% Luque:1990:CSM,% Paizs:1998:CSB,% Agarwal:1993:DQI,% Chesnut:1995:CQM,% Engelsen:1995:IMC,% Fourre:1999:ELF,% Kroemer:1996:DED,% Nayeem:1991:CSS,% Sierraalta:1994:CSE,% Yoo:1995:PLE% }. \NAMECITE{Comparing}{% Foreman:1999:CSS,% Grafton:1998:VPA% }. \NAMECITE{Comparison}{% Alhambra:1994:CNQ,% Alkorta:1993:CME,% Boughton:1993:CBP,% Fagerburg:1991:CAI,% Ferguson:1992:CIS,% Forster:1991:CCM,% Greatbanks:1997:CEC,% Halasz:1999:CBS,% Hobza:1997:PEP,% Kouwijzer:1993:CTF,% Kovacs:1998:CID,% Mizan:1996:CRF,% Nagy:1994:CMM,% Orozco:1993:CBM,% Papadakis:1997:CLS,% Ritchie:1995:CPD,% Scano:1991:CSM,% Senderowitz:1998:SPE,% Shaffer:1993:CCM,% Sigfridsson:1998:CMD,% Valiron:1993:CPP,% Verwoerd:1991:CSC,% Wiberg:1993:CAC,% Wiberg:1997:CDI,% Wiberg:1999:CDF,% Baginki:1993:TCC,% Baker:1993:TGO,% Baker:1996:LTS,% Bohm:1990:DAC,% Dewar:1990:CCA,% Facelli:1990:CIL,% Ferenczy:1990:SAE,% Gilardoni:1999:CGE,% Grant:1996:FMM,% Gundertofte:1991:CCE,% Gundertofte:1996:CCE,% Heffelfinger:1996:CBT,% Jones:1991:TKI,% Kieninger:1996:CEP,% Kroemer:1996:DED,% Leuwerink:1993:MDC,% Luke:1994:SCC,% Martin:1991:CCM,% Meza:1996:CDS,% Mitchell:1999:BPMb,% Radmer:1997:FEC,% Richard:1991:QCM,% Ritchie:1999:FCR,% Rodriguez:1993:QCM,% Salvino:1993:CAB,% Schmiedekamp:1994:TPA,% Seponer:1996:BSC,% Stewart:1990:RCC,% Trosset:1999:FDS,% Tuffery:1993:CCS,% VanAalten:1997:CTC,% Wertz:1992:CDG,% Wiberg:1996:SEC,% Augspurger:1997:AAR,% Boehm:1991:ICS,% Ford:1993:NAR,% Franke:1998:FOR,% Heidrich:1993:IMM,% Helms:1997:FEH,% Hermann:1997:MHS,% Janezic:1995:HALa,% Janezic:1995:HALb,% Jin:1999:TVG,% Knapp:1992:LTD,% Nguyen:1997:DFS,% Pratt:1995:DFT,% Smith:1992:SSA,% Sulkes:1995:CAJ,% Tiraboschi:1999:JQC,% Williams:1996:IMS,% Wong:1995:ICM% }. \NAMECITE{comparisons}{% Flatters:1997:ICM,% Hansmann:1997:NCT% }. \NAMECITE{compartmentalization}{% Salzner:1990:NSP% }. \NAMECITE{Compatibility}{% Raymond:1999:CCC% }. \NAMECITE{complement}{% Sokalski:1992:CAM% }. \NAMECITE{complementarity}{% Maye:1991:HGP% }. \NAMECITE{complete}{% Walker:1991:CSC,% Zhou:1996:FDS% }. \NAMECITE{completeness}{% Bohm:1990:DAC% }. \NAMECITE{complex}{% Amat:1999:FED,% Buhl:1999:TSV,% Caflisch:1997:DMC,% Calvo-Losada:1998:RAI,% Campos:1995:EMC,% Cummins:1994:TIC,% Ding:1996:GZW,% Kurita:1994:DAI,% Kurita:1995:EDA,% Masgrau:1999:ECF,% Mitchell:1990:NNH,% Norris:1993:TSP,% Procacci:1997:OMD,% Yoshikawa:1990:MMC,% Zacharias:1999:HMV,% Zachmann:1992:TAC% }. \NAMECITE{complexation}{% Varnek:1998:VWH% }. \NAMECITE{complexes}{% Berces:1997:GOM,% Bruning:1991:EIH,% Buchachenko:1996:DAQ,% Campbell:1996:APH,% Charifson:1991:FEC,% Clark:1995:FLD,% Cundari:1998:CSM,% Ferguson:1990:MMC,% Gajewski:1998:GMM,% Gonzalez:1997:HLI,% Gresh:1995:MPL,% Griffin:1993:EAC,% Haddon:1998:OCF,% Kolb:1993:MPH,% Kurita:1994:DAI,% Kurita:1995:EDA,% Leuwerink:1993:MDC,% Magnusson:1993:CCE,% Magnusson:1995:EBM,% Mainz:1997:EPG,% Maye:1991:HGP,% Potter:1999:MDC,% Ruiz:1999:BSA,% Santamaria:1999:VSN,% Sargent:1991:BSG,% Still:1990:ECV,% Susnow:1994:CSA,% Tiraboschi:1999:JQC,% Varnek:1996:TCE,% Varnek:1998:VWH,% Vos:1990:SMC,% Zhu:1996:IIC% }. \NAMECITE{component}{% Han:1998:SOE,% Higo:1997:TCM,% Moscardo:1998:SCFa,% Moscardo:1998:SCFb,% Susnow:1994:PCA,% Susnow:1995:EPC,% Suto:1991:PCA,% Tolosa:1990:OCC,% Visscher:1999:FFC% }. \NAMECITE{components}{% Gao:1997:ECA,% Soirat:1997:BDS% }. \NAMECITE{composed}{% Cesco:1999:IAB% }. \NAMECITE{composite}{% Beck:1999:MHO% }. \NAMECITE{composition}{% Barclay:1991:MCP% }. \NAMECITE{compound}{% Frau:1992:TCL,% Godden:1999:SAC,% Parusel:1998:TDS% }. \NAMECITE{compounds}{% Allinger:1994:FFC,% Anonymous:1997:ACF,% Bartol:1999:CST,% Bonati:1992:MEP,% Buhl:1998:TIN,% Bush:1999:CBC,% Dauchez:1993:VMF,% Dauchez:1995:VMF,% Derreumaux:1990:VMF,% Erion:1995:CRF,% Fan:1994:MMM,% Fernandez:1991:MMM,% Forster:1994:RNO,% Fourre:1999:ELF,% Gardner:1993:IMO,% Holden:1993:PPC,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Kaupp:1990:PCM,% Leonard:1990:MMP,% Li:1992:ASO,% Li:1992:EST,% Liwo:1997:MSS,% Maple:1998:DCI,% Martinez-Nunez:1997:CAM,% Marynick:1998:AME,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Pratt:1995:DFT,% Ramos:1990:ESH,% Rios:1992:SSC,% Rodriguez:1994:SSC,% Schreckenbach:1999:DFC,% Schwerdtfeger:1993:TIT,% Shaffer:1993:CCM,% Sierraalta:1994:CSE,% Smith:1992:SSA,% Tai:1998:EIE,% Teppen:1998:MDS,% Veldkamp:1992:TSO,% Verwoerd:1991:CSC,% Wang:1993:ICP,% Wiberg:1997:CDI% }. \NAMECITE{Comprehensive}{% Pavankumar:1999:CIQ,% Maxwell:1995:CSR% }. \NAMECITE{compression}{% Fulscher:1993:ERI,% Shepard:1990:DCM,% Stradella:1993:TCS% }. \NAMECITE{compuational}{% Forster:1991:CCM% }. \NAMECITE{Comput}{% Anonymous:1997:ACF% }. \NAMECITE{Computation}{% Comba:1999:CCS,% Garcia:1993:CMR,% Tolosa:1991:CSP,% Tunon:1996:CHF,% Baumann:1999:PGO,% Cohen:1994:IAI,% Fenley:1996:FAM,% Galiatsatos:1990:EFL,% Gogonea:1995:IAA,% Klopper:1997:SRI,% Marquez:1995:PCM,% Marquez:1997:PCS,% Murray:1990:EFM,% Overill:1991:TTN,% Pascual-ahuir:1994:GID,% Randic:1991:COP,% Rashin:1991:NMC,% Ritchie:1999:FCR,% Senderowitz:1993:MMS,% Sun:1994:FFC,% Taverner:1996:IAA,% Venuvanalingam:1991:PAC,% Weiser:1998:ENL,% Weiser:1998:NLR,% Wolinski:1997:MPC% }. \NAMECITE{Computational}{% Anonymous:2015:ECG,% Baboul:1998:CSN,% Cundari:1998:CSM,% Dappen:1990:CCA,% Lewin:1999:CMC,% Magnusson:1993:CCE,% Pratt:1994:CSH,% Rogers:1990:CCU,% Rogers:1994:CCU,% Rogers:2003:CCU,% Rouvray:1990:CCG,% Trinajstic:1991:CCG,% Wang:1996:CDG,% Zhou:1997:BRB,% Boggs:1999:GPM,% Boyd:1991:MSD,% Christiansen:1990:BRB,% Eisenhaber:1993:ISA,% 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\NAMECITE{{DDRP}}{% Domotor:1993:EPH% }. \NAMECITE{dead}{% Gordon:1998:RPE% }. \NAMECITE{dead-end}{% Gordon:1998:RPE% }. \NAMECITE{deaminase}{% Hansen:1990:FEP% }. \NAMECITE{deazaguanine}{% Kolossvary:1999:LMC% }. \NAMECITE{deazapterin}{% Cummins:1996:SEA% }. \NAMECITE{debate}{% Overill:1991:TTN% }. \NAMECITE{deca}{% Kitao:1991:CDP% }. \NAMECITE{deca-alanine}{% Kitao:1991:CDP% }. \NAMECITE{decahydroisoquinoline}{% Murcko:1993:CAH% }. \NAMECITE{decarboxylation}{% Norris:1993:TSP% }. \NAMECITE{decaying}{% Liu:1999:CEE% }. \NAMECITE{Decomposition}{% Kurita:1994:DAI,% Kurita:1995:EDA,% Anglada:1999:PATb,% Ballestrero:1996:MDP,% Dinur:1990:NDT,% Liu:1998:TIU,% Wilson:1997:RDD,% Young:1994:IDP% }. \NAMECITE{Decoupling}{% Buchachenko:1996:DAQ% }. \NAMECITE{dediazoniation}{% Glaser:1990:DIT% }. \NAMECITE{dedicated}{% Castell:1996:RSS% }. \NAMECITE{deduced}{% Pacios:1995:ARS% }. \NAMECITE{deduction}{% Crippen:1995:IDD% }. \NAMECITE{defined}{% Domotor:1996:TPA% }. \NAMECITE{defining}{% Pye:1998:GAD% }. \NAMECITE{{DefPol}}{% Pomelli:1998:DNP,% Pomelli:1999:EGM% }. \NAMECITE{degenerate}{% Bersuker:1997:LDF,% Gelabert:1994:AWM% }. \NAMECITE{degradable}{% Pratt:1994:CSH% }. \NAMECITE{degradation}{% Pratt:1993:HDS% }. \NAMECITE{degrees}{% Berces:1997:GOM,% Diudea:1991:MTI,% Severance:1995:GAS% }. \NAMECITE{dehydroamino}{% Alagona:1991:FFP% }. \NAMECITE{dehydrogenase}{% vonOnciul:1993:MOS% }. \NAMECITE{delocalized}{% Baker:1997:COD,% Reindl:1996:NME,% Reindl:1997:EFFa% }. \NAMECITE{{Demonstrations}}{% Debolt:1994:FEP% }. \NAMECITE{Dennis}{% Randic:1992:BRB% }. \NAMECITE{dense}{% Chesnut:1993:ULD,% Chesnut:1996:AEC% }. \NAMECITE{densities}{% Liu:1999:CEE,% Mezey:1998:AED,% Omalley:1999:HDF,% Walker:1991:CSC% }. \NAMECITE{Density}{% Costas:1999:DFS,% Hobza:1995:DFT,% Jursic:1996:DFG,% Rauhut:1997:DFB,% Schreckenbach:1999:DFC,% Ventura:1996:DFS,% Adamo:1998:IVL,% Amat:1997:QSM,% Amat:1999:FED,% Anonymous:2015:ECG,% Arteca:1991:VAR,% Becke:1999:ELG,% Bersuker:1997:LDF,% 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St-Amant:1995:CMG,% Stanton:1995:EDF,% Sulzbach:1997:NCS,% Tunon:1996:CDF,% VanWullen:1997:MSB,% VanWullen:1999:RAE,% VonArnim:1998:PPT,% Vyboishchikov:1997:TAE,% Wiberg:1999:CDF,% Ziegler:1992:EME% }. \NAMECITE{density-dependent}{% Pacios:1993:ADD% }. \NAMECITE{deoxythymidine}{% Sabio:1992:CAA% }. \NAMECITE{dependence}{% Hertwig:1995:ADF,% Jorgensen:1998:TDT,% Morales:1992:GED,% Scheiner:1997:MEP,% Speis:1992:BSC,% Stouch:1992:CDE,% Stouch:1993:CDE,% Urban:1993:CDE,% Reddy:1999:CRS% }. \NAMECITE{dependency}{% Ganda-Kesuma:1994:LDR% }. \NAMECITE{dependent}{% Bekker:1995:FVT,% Dinur:1995:GDA,% Galiatsatos:1990:EFL,% Kantola:1991:ABP,% Karna:1991:FDN,% Momany:1990:UCD,% Pacios:1993:ADD,% Raptis:1998:SFD% }. \NAMECITE{depleted}{% Llusar:1999:TAE% }. \NAMECITE{Derivation}{% Du:1996:DFS,% Gough:1992:DFH,% Maple:1994:DCI,% Maple:1998:DCI,% Woods:1990:DNA,% Cieplak:1995:AMM,% Hill:1997:UTP,% Su:1993:NMD,% Dinur:1991:FRA% }. \NAMECITE{derivative}{% Berg:1996:MMC,% Jemmer:1998:SAF,% Miller:1990:FSD,% Smeyers:1998:EPE,% Suto:1991:PCA,% Totrov:1994:EPE,% Andricioaei:1998:GOU% }. \NAMECITE{{Derivative}-free}{% Andricioaei:1998:GOU% }. \NAMECITE{derivatives}{% Allinger:1994:MMC,% Andricioaei:1998:GOU,% Arteca:1991:TAM,% Black:1996:EBP,% Blondel:1996:NFD,% Chesnut:1991:CSB,% Cossi:1996:AFD,% Dinur:1990:NDT,% Gibson:1990:DPF,% Hassanzedeh:1998:IVA,% Hlavacek:1991:MSC,% Horn:1991:PTE,% Kontoyianni:1992:IMMa,% Kontoyianni:1992:IMMb,% Kundrot:1991:ACE,% Lee:1997:TSK,% Liang:1994:MMM,% Liang:1996:PAR,% Marquez:1997:PCS,% McDowell:1996:DMD,% Nakamura:1998:PAE,% Patchkovskii:1996:ASD,% Pearlman:1994:FED,% Perrot:1992:MPR,% Schaumberger:1992:CDP,% Sridharan:1995:RMC,% Stewart:1992:MMS,% Verdonk:1994:TME% }. \NAMECITE{derived}{% Aleman:1993:SPD,% Balaban:1993:SNR,% Beck:1997:VNF,% Besler:1990:ACD,% Carlson:1993:AFE,% Cieplak:1991:UEP,% Diudea:1991:MTI,% Donini:1998:DMF,% Ferenczy:1990:SAE,% Ferenczy:1991:CDD,% Henchman:1999:FEH,% Kikuchi:1996:ICA,% Kikuchi:1999:SPF,% Marynick:1997:AMEa,% Marynick:1998:AME,% Merz:1992:ALD,% Palmer:1991:SGC,% Palmer:1992:SGC,% Ritchie:1995:CPD,% Salvino:1993:CAB,% Spackman:1996:PDC,% Stahl:1999:MPA,% Stouch:1992:CDE,% Stouch:1993:CDE,% Urban:1993:CDE,% Wang:1994:ACD,% Wiberg:1993:CAC% }. \NAMECITE{deriving}{% Sigfridsson:1998:CMD% }. \NAMECITE{describing}{% Hernandez:1999:ICG,% Mitchell:1999:BPMa,% Mitchell:1999:BPMb,% Salzner:1990:NSP% }. \NAMECITE{description}{% Baumann:1999:PGO,% Ebert:1999:FRD,% Gabb:1995:ECS,% Grant:1996:FMM,% Jensen:1998:IQC,% Koch:1995:IDM,% Lein:1999:TDV,% Parusel:1998:TDS,% Pascual-Ahuir:1990:GID,% Pascual-ahuir:1994:GID,% Siegbahn:1996:MDH,% Silla:1991:GID% }. \NAMECITE{descriptions}{% Malcolm:1994:VBVb% }. \NAMECITE{Descriptors}{% Norinder:1998:DAA,% Breneman:1997:QAH,% Kroemer:1996:DED,% Shoichet:1992:MDU% }. \NAMECITE{Design}{% Carballeira:1990:DAM,% Liljefors:1998:RMD,% Salzner:1997:DLB,% Taylor:1999:BRB,% Abagyan:1994:INM,% Amisaki:1995:EED,% Cohen:1994:IAI,% Dappen:1990:CCA,% Leach:1994:RBA,% Toyoda:1999:DME% }. \NAMECITE{desulfuration}{% Katagi:1993:MPS% }. \NAMECITE{detailed}{% Antosiewicz:1996:CIS% }. \NAMECITE{Detection}{% Alard:1991:DCS,% Weiser:1999:FAA% }. \NAMECITE{Determination}{% Falk:1996:DSN,% Meng:1991:DMT,% Park:1993:DNA,% Park:1995:DNA,% Yoon:1995:DCT,% Eggenberger:1993:UMD,% Farazdel:1991:DMC,% Genest:1999:CMA,% Liwo:1997:URFb,% Marti:1992:VSE,% McGarrah:1993:AGA,% Nagase:1998:RAS,% Perrot:1992:MPR,% You:1995:AAR% }. \NAMECITE{determined}{% Palmo:1998:EMI,% Wan:1997:SDS,% Zauhar:1991:IHF% }. \NAMECITE{Determining}{% Breneman:1990:DAC,% Norrby:1995:UCD,% Still:1990:ECV% }. \NAMECITE{deterministic}{% Klepeis:1999:PPS% }. \NAMECITE{deuterium}{% Eggenberger:1993:UMD% }. \NAMECITE{developed}{% Dewar:1990:CCA,% Stewart:1990:RCC% }. \NAMECITE{{Developing}}{% Holst:1995:NSN% }. \NAMECITE{Development}{% Barone:1997:DVF,% Donini:1998:DMF,% Jin:1997:DNG,% Orozco:1995:DOM,% Roccatano:1998:DPM,% Schnur:1991:DIS,% Shirsat:1993:DRH,% Tan:1993:YDM,% 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}. \NAMECITE{diatomic}{% Barclay:1991:MCP,% Dagher:1993:GMA,% Dagher:1995:TDP,% Dinur:1991:AMP,% Hertwig:1995:ADF,% Huzinaga:1993:EDP,% Kobeissi:1993:FND,% Korek:1992:HAD,% Ludena:1999:LST,% MagelaeSilva:1997:ECE,% Mitin:1998:CRE,% Neto:1994:PAC,% Roussel:1995:DDP,% Hassanzedeh:1998:IVA% }. \NAMECITE{diaza}{% Jursic:1996:ISH% }. \NAMECITE{diazabicyclo}{% Stibor:1990:MSH% }. \NAMECITE{diazomethane}{% Nyulaszi:1997:RCR% }. \NAMECITE{Diazonium}{% Glaser:1990:DIT% }. \NAMECITE{dibenzo}{% Murray:1990:EFM% }. \NAMECITE{dibenzo-}{% Murray:1990:EFM% }. \NAMECITE{diborylmethane}{% Minyaev:1997:ICD% }. \NAMECITE{Dication}{% Glaser:1997:EEC% }. \NAMECITE{dications}{% Glaser:1990:DIT% }. \NAMECITE{Dielectric}{% Davis:1991:DBS,% Ayma:1997:ICD,% Bruccoleri:1997:FDP,% Purisima:1995:SYA% }. \NAMECITE{{Diels}}{% Lenz:1990:FFC,% Salzner:1997:IID% }. \NAMECITE{dienoic}{% Li:1996:MMS% }. \NAMECITE{difference}{% Bruccoleri:1997:FDP,% Castell:1996:RSS,% Davis:1991:DBS,% Luty:1992:EEC,% Luty:1992:SFD,% Mitchell:1991:FED,% Nicholls:1991:RFD,% Sharp:1991:ISI,% Shen:1996:EBE,% Svensson:1996:CNS,% Zhexin:1995:SFD,% Zhou:1996:FDS% }. \NAMECITE{difference-dedicated}{% Castell:1996:RSS% }. \NAMECITE{differences}{% Bonati:1992:MEP,% Erion:1995:CRF,% Reddy:1999:CRS,% Shen:1995:CBE% }. \NAMECITE{Different}{% Bohm:1990:DAC,% Kroemer:1996:DED,% Berger:1997:AEC,% Dauchez:1995:VMF,% Fores:1999:CCS,% Janezic:1995:HALa,% Karfunkel:1993:CSM,% Luque:1990:CSM,% Wiberg:1993:CAC,% Wiberg:1997:CDI% }. \NAMECITE{differentiable}{% Augspurger:1996:EDH% }. \NAMECITE{differential}{% Salzner:1990:NSP% }. \NAMECITE{Difficulties}{% Bishop:1997:DMT,% Mitchell:1991:FED% }. \NAMECITE{diffraction}{% Wu:1996:DBD% }. \NAMECITE{diffuse}{% Alagona:1990:EDF% }. \NAMECITE{diffusion}{% Krissinel:1996:SSD,% Salzner:1990:NSP,% Teleman:1990:SFO,% Vasquez:1992:LIS% }. \NAMECITE{difluoro}{% Li:1994:EMD% }. \NAMECITE{difluoroethane}{% Speis:1992:BSC% }. \NAMECITE{dihedral}{% Cheng:1996:SST,% Gibson:1990:DPF,% Kitao:1991:CDP,% Sunada:1995:SAP,% Tomimoto:1996:CAN% }. \NAMECITE{dihydro}{% Calvo-Losada:1998:RAI,% Freeman:1997:IMO,% Freeman:1998:IMO,% Po:1993:IMO% }. \NAMECITE{dihydroanthracene}{% Sygula:1992:PRI% }. \NAMECITE{dihydrofolate}{% Cummins:1990:MAB,% Cummins:1994:TIC,% Cummins:1996:SEA,% Cummins:1998:MDF,% Leach:1995:MDS,% Welsh:1990:AMO% }. \NAMECITE{dihydronicotinamide}{% Cummins:1990:MAB% }. \NAMECITE{dihydrophenanthrene}{% Sygula:1992:PRI% }. \NAMECITE{dihydropleiadene}{% Sygula:1992:PRI% }. \NAMECITE{dihydropyridines}{% Brewster:1991:RBI% }. \NAMECITE{diimine}{% Schmitz:1994:CSA% }. \NAMECITE{dimension}{% Mitin:1994:IMC% }. \NAMECITE{dimensional}{% Catasti:1990:PES,% Cheng:1996:SST,% Cortis:1997:ATD,% Crouzy:1999:ECT,% Higo:1994:STD,% Kovalenko:1999:STD,% Neto:1991:FTD,% Noga:1999:ABL,% Robertson:1997:AII,% You:1995:AAR% }. \NAMECITE{dimensions}{% Bradley:1996:LES,% Salazar:1998:GMT% }. \NAMECITE{dimer}{% Fraschini:1998:HMP,% Hermida-Ramon:1998:TSI,% Kieninger:1996:CEP,% Metzger:1997:CAI,% Seponer:1996:BSC% }. \NAMECITE{dimeric}{% Menendez:1995:TSG% }. \NAMECITE{dimerization}{% Lenz:1990:FFC,% Salzner:1997:IID,% Peyman:1992:MRP% }. \NAMECITE{dimers}{% Alagona:1990:EDF% }. \NAMECITE{Dimethoxy}{% Wu:1996:DBD% }. \NAMECITE{dimethoxymethane}{% Kneisler:1996:IDF% }. \NAMECITE{dimethoxyphenyl}{% Wu:1996:DBD% }. \NAMECITE{dimethylaniline}{% Verdonk:1994:TME% }. \NAMECITE{dimethylcycloheptane}{% Li:1994:EMD% }. \NAMECITE{dinitrosoethylenes}{% Seminario:1992:CSR% }. \NAMECITE{dinucleoside}{% Beckers:1998:MAD% }. \NAMECITE{diox}{% Freeman:1997:IMO% }. \NAMECITE{dioxanes}{% Howard:1995:MMM% }. \NAMECITE{dioxene}{% Freeman:1997:IMO% }. \NAMECITE{dioxide}{% Battersby:1994:IBC,% Jones:1991:TKI,% McEachern:1991:ICC,% Norris:1993:TSP,% Rao:1991:PRI% }. \NAMECITE{dioxin}{% Freeman:1997:IMO,% Po:1993:IMO% }. \NAMECITE{dioxins}{% Murray:1990:EFM,% Rabinowitz:1998:IBC% }. \NAMECITE{dioxirane}{% Baboul:1998:CSN% }. \NAMECITE{dipalmitoyl}{% Chiu:1999:ACM% }. \NAMECITE{dipalmitoylphosphatidicholine}{% Smondyrev:1999:UAF% }. \NAMECITE{dipalmitoylphosphatidicholine/water}{% Smondyrev:1999:UAF% }. \NAMECITE{diparmitoylphosphatidylcholine}{% Taga:1995:MCS% }. \NAMECITE{dipeptide}{% Momany:1990:UCD,% Philipp:1999:MIQ,% Ridard:1999:EAC,% Smart:1997:CSP,% Wan:1997:SDS% }. \NAMECITE{dipeptides}{% Susnow:1994:CSD,% Susnow:1994:PCA,% Susnow:1995:EPC% }. \NAMECITE{diphosphate}{% Hwang:1999:CAT,% Hwang:1999:CAT% }. \NAMECITE{dipolar}{% Chandra:1998:ARU,% Glaser:1998:AES,% Magnuson:1998:TSD,% Sustmann:1992:AID% }. \NAMECITE{Dipole}{% McDowell:1996:DMD,% Huzinaga:1993:EDP,% St-Amant:1995:CMG,% Suto:1991:PCA,% Xu:1992:IPD,% Zhexin:1995:IPD,% Xu:1992:IPD% }. \NAMECITE{dipoles}{% Malcolm:1994:VBVb% }. \NAMECITE{{Dirac}}{% Cao:1996:MSI,% Pisani:1994:RDF,% Styszynski:1997:RAE% }. \NAMECITE{{Dirac-Fock}}{% Cao:1996:MSI% }. \NAMECITE{Direct}{% Gagliardi:1997:DLA,% Meza:1994:DSM,% Panin:1996:DCM,% Vahtras:1994:DOI,% Baker:1998:PVS,% Brode:1993:PDS,% 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Krishna:1990:PDC% }. \NAMECITE{dissociative}{% Perez:1992:MCS% }. \NAMECITE{dissolved}{% Depner:1992:MDS% }. \NAMECITE{Distance}{% Crippen:1988:DGM,% Balasubramanian:1990:CGD,% Glunt:1993:MCD,% Glunt:1994:PDM,% Jensen:1993:EOE,% Peishoff:1992:IDG,% Petitjean:1995:GMS,% Wertz:1992:CDG,% Pillardy:1997:STG,% Dunitz:1990:BRB% }. \NAMECITE{distances}{% Kikuchi:1996:ICA,% Kikuchi:1999:SPF% }. \NAMECITE{distinct}{% Godden:1999:SAC% }. \NAMECITE{distorted}{% Abagyan:1994:INM% }. \NAMECITE{distortion}{% Korek:1992:HAD% }. \NAMECITE{Distributed}{% Rendell:1993:DDP,% Bernardo:1995:EPP,% Covick:1990:FIT,% Debolt:1993:AMP,% Ferenczy:1991:CDD,% Furlani:1995:IPD,% Limaye:1997:PME,% Lin:1992:MDD,% Marquez:1995:PCM,% Marquez:1997:PCS,% Price:1991:TAT,% Willock:1995:RMC,% Covick:1996:PPT% }. \NAMECITE{distributed-memory}{% Covick:1990:FIT,% Debolt:1993:AMP,% Lin:1992:MDD,% Covick:1996:PPT% }. \NAMECITE{distribution}{% Astley:1998:EAV,% Cheng:1996:SST,% Du:1996:DFS,% Gabdoulline:1995:ECC,% 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Forester:2000:ESR,% Klein:1998:SSV,% Wolinski:1997:MPC% }. \NAMECITE{{EHMO}}{% Ivanov:1991:MMM% }. \NAMECITE{{EICP}}{% Tolosa:1991:CSP% }. \NAMECITE{eigenvalues}{% Besalu:1998:CCE,% Carbo:1992:CAP,% Mitin:1994:IMC% }. \NAMECITE{eigenvector}{% Koslowski:1993:LCL,% vanLenthe:1990:SSM% }. \NAMECITE{eigenvectors}{% Carbo:1992:CAP,% Mitin:1994:IMC% }. \NAMECITE{{ELECT}}{% Makino:1998:EFC% }. \NAMECITE{Electric}{% Huzinaga:1993:EDP,% Colonna:1992:CAE,% Grundler:1990:HMS,% McDowell:1997:RFC,% Williams:1994:FNA,% Zauhar:1990:CEP,% Zhexin:1995:CEP% }. \NAMECITE{electrolyte}{% Yoon:1990:BEM% }. \NAMECITE{Electron}{% Bu:1999:ETR,% Fourre:1999:ELF,% Li:1996:ETI,% Li:1999:ETB,% Ponec:1999:EPC,% Arteca:1991:VAR,% Augspurger:1990:GQM,% Bock:1990:EBS,% Cao:1997:MSI,% Chen:1998:PSP,% Cullen:1992:LEP,% Frye:1991:HCM,% Fulscher:1993:ERI,% Glaser:1990:DIT,% Glaser:1997:EEC,% Gonzalez-Lafont:1991:MCS,% Hertwig:1998:ETR,% Horn:1991:PTE,% Ishida:1998:RAC,% Jensen:1993:EOE,% Jonas:1992:TSOa,% 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Magnusson:1993:CCE,% Mainz:1997:EPG,% Pearl:1998:MCB,% Santamaria:1994:SEP,% Sanz:1990:TAE,% Schmidt:1993:GAM,% Stewart:1991:SVE,% Tazartes:1998:ASO,% Urbina-Villalba:1992:SSE,% Walker:1993:SGE,% Welsh:1990:AMO,% Westbrook:1992:MEP,% Yarkony:1995:MES,% Zhou:1999:GMS% }. \NAMECITE{electrons}{% Soirat:1997:BDS% }. \NAMECITE{Electrostatic}{% Bruning:1991:EIH,% Fox:1993:ESE,% Luty:1992:EEC,% Magnusson:1995:EBM,% Palmo:1998:EMI,% Pappu:1996:EMR,% Shen:1996:EBE,% AAqvist:1996:CAB,% Alagona:1990:CSI,% Aleman:1993:SPD,% Alhambra:1994:CNQ,% Alkorta:1993:CSB,% Arteca:1991:TAM,% Bakowies:1996:STE,% Beck:1994:NAO,% Beck:1997:VNF,% Beroza:1996:CAA,% Bonati:1992:MEP,% Breneman:1990:DAC,% Bruccoleri:1997:FDP,% Bush:1999:CBC,% Carballeira:1990:DAM,% Cieplak:1991:UEP,% Davis:1990:CEF,% Dinur:1991:AMP,% Du:1996:DFS,% Dudek:1995:AMI,% Dufner:1997:ESV,% Eichinger:1997:FAR,% Fenley:1996:FAM,% Ferenczy:1990:SAE,% Ford:1993:NAR,% Francl:1996:CFE,% Gilson:1995:MDS,% Halgren:1996:MMFb,% Henchman:1999:FEH,% 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Zauhar:1991:IHF% }. \NAMECITE{element}{% Berweger:1997:FEI,% Bharadwaj:1995:FMB,% Cortis:1997:ATD,% Cortis:1997:NSP,% Flores:1994:HPA,% Fox:1993:ESE,% Furuki:1994:GPR,% Neto:1991:FTD,% Purisima:1995:SYA,% Purisima:1998:FSB,% Vorobjev:1997:FAM,% Wan:1997:SDS,% Yoon:1990:BEM,% You:1993:FEA,% Zauhar:1996:FSE% }. \NAMECITE{elementary}{% Amat:1997:QSM,% Valdes-Perez:1993:ATS% }. \NAMECITE{elements}{% Ahlswede:1999:CMSb,% Alvarez-Collado:1994:NCF,% Ihlenfeldt:1994:HCI,% Kobeissi:1993:FND,% Li:1999:ETB,% Miller:1990:FSD,% Sizova:1995:IPE,% Zhou:1994:SLM% }. \NAMECITE{elimination}{% Gordon:1998:RPE,% Zhou:1996:FDS,% Blondel:1996:NFD,% Goede:1997:VCN% }. \NAMECITE{ellisoidal}{% Ford:1992:OEC% }. \NAMECITE{elucidated}{% Kolossvary:1999:LMC% }. \NAMECITE{elucidation}{% Matyska:1994:DCS,% Valdes-Perez:1992:AGR% }. \NAMECITE{elusive}{% Hartke:1999:GCG% }. \NAMECITE{embedded}{% Greatbanks:1997:CEC,% Zhu:1996:IIC% }. \NAMECITE{embedding}{% Crippen:1992:CSG,% Crippen:1992:ECS,% Illas:1993:BMH% }. \NAMECITE{emphasis}{% Weiser:1997:HCS% }. \NAMECITE{Empirical}{% Reindl:1997:EFFa,% Reindl:1997:EFFb,% Benassi:1993:CPH,% Dillen:1990:IEF,% Dillen:1992:PPD,% Dillen:1995:EFFa,% Dillen:1995:EFFb,% Donini:1998:DMF,% Essex:1995:EBP,% Halgren:1996:MMFe,% Hanebeck:1993:REC,% Hobza:1991:ILA,% Hobza:1997:PEP,% Momany:1990:UCD,% Morris:1998:ADU,% Nakajima:1996:REM,% Radmer:1997:FEC,% Reindl:1996:NME,% Seponer:1996:BSC,% VonFreyberg:1993:MEE,% Yin:1998:CIS% }. \NAMECITE{empirically}{% Stanton:1990:EAN% }. \NAMECITE{employing}{% Salzner:1997:DLB% }. \NAMECITE{enamines}{% Allinger:1994:MMC% }. \NAMECITE{enantiomeric}{% Dappen:1990:CCA% }. \NAMECITE{Enantioselective}{% Black:1996:EBP% }. \NAMECITE{enantioselectivity}{% Aerts:1995:IMM% }. \NAMECITE{end}{% Baker:1991:GOC,% Gordon:1998:RPE% }. \NAMECITE{ended}{% Augspurger:1990:COE,% Augspurger:1990:GQM% }. \NAMECITE{endo}{% Cavasotto:1991:EEE,% Jursic:1996:ISH% }. \NAMECITE{endo-endo}{% Cavasotto:1991:EEE% }. \NAMECITE{endo-lone-pair}{% Jursic:1996:ISH% }. \NAMECITE{endohedral}{% Kolb:1993:MPH,% Nagase:1998:RAS% }. \NAMECITE{ene}{% Freeman:1997:IMO% }. \NAMECITE{energetic}{% Carlacci:1991:NDE,% Guenot:1993:CEE,% Kieninger:1996:CEP,% Maerker:1997:CAE,% Mohle:1997:SER% }. \NAMECITE{Energetics}{% Alvarez-Idaboy:1998:EMO,% Gresh:1995:EZB,% Gresh:1996:CBE,% Jung:1996:MMC,% Masamura:1999:IMO,% Sekusak:1997:RHH,% Tiraboschi:1999:JQC% }. \NAMECITE{energies}{% AAqvist:1996:CAB,% Adamson:1999:ECS,% Bockisch:1992:TST,% Boehm:1991:ICS,% Boehm:1997:TSB,% Braga:1996:NFG,% Carlson:1993:AFE,% Chesnut:1995:CQM,% Chesnut:1996:AEC,% Chesnut:1997:RRC,% Chung-Phillips:1990:SIR,% Cioslowski:1993:BPF,% Cullen:1992:LEP,% Cummins:1994:TIC,% Cummins:1999:CSQ,% El-Nahas:1994:SSE,% Flores:1994:HPA,% Ford:1992:OEC,% Freeman:1998:IMO,% Grimme:1994:MCS,% Gundertofte:1991:CCE,% Gundertofte:1996:CCE,% Halasz:1999:CBS,% Halgren:1996:MMFd,% Halgren:1999:MVC,% Handy:1999:EEB,% Harris:1996:CSF,% Helms:1997:FEH,% Henchman:1999:FEH,% Hermans:1992:PFE,% 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Kakkar:1991:URE% }. \NAMECITE{Evaluating}{% Bernardo:1995:EPP% }. \NAMECITE{Evaluation}{% Gano:1991:EPA,% Goldstein:1998:EDF,% Griffin:1993:EAC,% Iwao:1998:ERN,% Jensen:1993:EOE,% Lipkowitz:1995:EMS,% Murray:1990:EFM,% Vyazovkin:1997:EAE,% Aleman:1991:NSE,% Amisaki:1995:EED,% Augspurger:1990:COE,% Ballestrero:1996:MDP,% Cesco:1995:NET,% Cohen:1995:LQE,% Coitino:1995:ESP,% Diller:1999:CES,% Eichinger:1997:FAR,% Ewing:1997:CES,% Ferguson:1995:PEF,% Gorse:1994:UFP,% Haase:1993:SMG,% Helms:1997:FEH,% Klopman:1991:CAS,% Klopman:1994:AMC,% Limaye:1997:PME,% Luty:1995:MMG,% Meng:1992:ADG,% Morley:1992:DMH,% Nakajima:1996:REM,% Ryu:1993:OUR,% Tiraboschi:1999:JQC,% Wong:1991:TEI,% Yahiro:1992:VPAa,% Ziegler:1992:EME,% Zivkovic:1990:ECP% }. \NAMECITE{evaluations}{% Orozco:1993:CBM% }. \NAMECITE{Evans}{% Anglada:1999:PATa,% Anglada:1999:PATb% }. \NAMECITE{events}{% Salazar:1998:GMT% }. \NAMECITE{evidence}{% Liu:1992:IES% }. \NAMECITE{evolution}{% Lensink:1996:SIM% }. \NAMECITE{{Ewald}}{% 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Pascual-ahuir:1994:GID% }. \NAMECITE{Exhaustive}{% Bone:1997:EEM% }. \NAMECITE{existence}{% Smart:1995:ESS% }. \NAMECITE{Exo}{% Cavasotto:1991:EEE% }. \NAMECITE{Exo-exo}{% Cavasotto:1991:EEE% }. \NAMECITE{expanded}{% Tratch:1990:CMA% }. \NAMECITE{Expanding}{% Li:1994:EMD% }. \NAMECITE{expansion}{% Ishida:1998:RAC,% Murray:1990:EFM,% Pacios:1998:RBG% }. \NAMECITE{Experiences}{% Domotor:1993:EPH% }. \NAMECITE{experiment}{% Jones:1991:TKI,% Nguyen:1997:DFS,% Sulkes:1995:CAJ,% Wong:1995:ICM,% Oberhammer:1998:MSC% }. \NAMECITE{experimental}{% Halgren:1996:MMFe,% Hermann:1993:CHI,% Mitchell:1999:BPMb,% Norrby:1998:AMM,% Pratt:1995:DFT,% Smith:1992:SSA,% Stegmann:1996:SPT,% Wiberg:1999:CDF% }. \NAMECITE{expert}{% Catasti:1990:PES% }. \NAMECITE{explicit}{% Engel:1999:EID,% Juffer:1996:APC% }. \NAMECITE{Explicitly}{% Zhang:1994:ECG,% Kozlowski:1992:MMI,% Schwegler:1993:AEC,% Zhang:1994:NRO% }. \NAMECITE{{Exploiting}}{% Mestres:1997:MMF% }. \NAMECITE{exploratory}{% Gibson:1990:VSM,% Kakkar:1991:URE% }. \NAMECITE{Exploring}{% Becke:1999:ELG,% Crippen:1992:ECS,% Smeyers:1998:EPE,% Jin:1997:DNG,% Papadakis:1997:CLS,% Scheiner:1997:MEP% }. \NAMECITE{exponential}{% Cesco:1995:NET% }. \NAMECITE{exponential-type}{% Cesco:1995:NET% }. \NAMECITE{exponentially}{% Liu:1999:CEE% }. \NAMECITE{exponents}{% Campos:1995:EMC,% Glukhovtsev:1993:THM,% Magnusson:1993:SFMa% }. \NAMECITE{expression}{% Morales:1992:GED% }. \NAMECITE{expressions}{% Swope:1992:AEE% }. \NAMECITE{Extended}{% Hansen:1990:EBS,% Morrison:1992:EKT,% Behnejad:1995:ELC,% Dixon:1994:FGO,% Endo:1996:NIM% }. \NAMECITE{Extension}{% Li:1992:EST,% Luque:1996:EMS,% Mainz:1997:EPG,% Paizs:1997:ESD,% Weiser:1999:OGS,% Halgren:1996:MMFe,% Marynick:1998:AME,% Stewart:1991:OPS% }. \NAMECITE{{Extensions}}{% Huige:1995:FFP% }. \NAMECITE{extensive}{% Hertwig:1995:ADF% }. \NAMECITE{external}{% Yoshioki:1994:IDG% }. \NAMECITE{extraction}{% Varnek:1996:TCE% }. \NAMECITE{extrapolation}{% Cioslowski:1993:BPF% }. \NAMECITE{extraribosomal}{% David:1994:XPE% }. \NAMECITE{F}{% Alikhani:1998:DPS,% Bickelhaupt:1995:TIR,% Breidung:1992:SIS,% Dunitz:1990:BRB,% Jursic:1996:DFG,% Schreckenbach:1999:DFC,% Schwerdtfeger:1993:TIT,% Smith:1991:CPX,% Taylor:1999:BRB,% Dixon:1994:FGO,% Holden:1993:PPC,% Kaupp:1999:RTN% }. \NAMECITE{{F}-containing}{% Holden:1993:PPC% }. \NAMECITE{Factors}{% Barrows:1998:FCR,% Bock:1990:EBS,% Breneman:1997:QAH,% Grunenberg:1997:CMV,% Williams:1991:EHS,% Zhang:1994:ECG,% Bonati:1992:MEP% }. \NAMECITE{Failure}{% Williams:1994:FNA% }. \NAMECITE{{FAMUSAMM}}{% Eichinger:1997:FAR% }. \NAMECITE{Fan}{% Anonymous:1997:ACF% }. \NAMECITE{Fast}{% Alsberg:1995:FFM,% Chen:1997:FES,% Dixon:1994:FGO,% Fenley:1996:FAM,% Heiden:1993:FGM,% Hunt:1996:FLT,% Komeiji:1997:FAM,% Purisima:1998:FSB,% Rinaldi:1992:FGO,% Ritchie:1999:FCR,% VanEijck:1997:FCE,% Weiser:1999:FAA,% Beck:1997:VNF,% Bharadwaj:1995:FMB,% Bishop:1997:DMT,% Grant:1996:FMM,% Shimada:1994:PFM,% Vorobjev:1997:FAM,% Wang:1994:ACD,% Zauhar:1996:FSE% }. \NAMECITE{Faster}{% Bliznyuk:1999:FGS,% Makino:1998:EFC% }. \NAMECITE{{Fe}}{% Gonzalez-Lafont:1991:MCS% }. \NAMECITE{features}{% Alsberg:1995:FFM% }. \NAMECITE{{FeCH}}{% Veldkamp:1992:TSO% }. \NAMECITE{{FEP}}{% Orozco:1993:CBM,% Varnek:1998:VWH% }. \NAMECITE{{Fermi}}{% Ponec:1999:EPC% }. \NAMECITE{few}{% Mitin:1994:IMC% }. \NAMECITE{Feynman}{% Hirao:1992:FFS% }. \NAMECITE{field}{% Agarwal:1993:DQI,% Alagona:1991:FFP,% Allinger:1990:MMMa,% Allinger:1994:FFC,% Allinger:1996:IFF,% Anonymous:1997:ACF,% Badertscher:1990:CAP,% Barone:1997:DVF,% Bock:1990:EBS,% Bush:1999:CBC,% Cannon:1993:AFF,% Carballeira:1990:DAM,% Colonna:1992:CAE,% Cornell:1996:ASD,% Damm:1997:OAA,% Dauchez:1993:VMF,% Dauchez:1995:VMF,% Daura:1998:PAC,% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Derreumaux:1990:VMF,% Dillen:1990:IEF,% Dillen:1995:EFFa,% Dillen:1995:EFFb,% Donini:1998:DMF,% Ferenczy:1992:NFS,% Fernandez:1991:MMM,% Fernandez:1994:PFF,% Ferro:1997:IFF,% Flatters:1997:ICM,% Ford:1992:OEC,% Furuki:1994:GPR,% Furuki:1995:ARF,% Gaedt:1998:CVF,% Glennon:1994:FFM,% Gresh:1995:EZB,% Halgren:1996:MMFa,% Halgren:1996:MMFb,% Halgren:1996:MMFc,% Halgren:1996:MMFd,% Halgren:1996:MMFe,% Harris:1998:PEF,% Harrison:1996:THP,% Huige:1995:FFP,% Hunger:1999:OAF,% Jelski:1996:NVS,% Kar:1994:TMM,% Kozelka:1993:FFP,% Kroemer:1996:DED,% Lenz:1990:FFC,% Liang:1995:FFS,% Liang:1997:ICM,% Lii:1991:MFF,% Lii:1998:DHB,% Liwo:1997:URFa,% Liwo:1997:URFb,% Liwo:1998:URF,% Maple:1994:DCI,% Maple:1998:DCI,% McDowell:1997:RFC,% Mestres:1997:MMF,% Momany:1990:UCD,% Momany:1992:VGP,% Moscardo:1998:SCFa,% Moscardo:1998:SCFb,% Orozco:1993:ISB,% Ott:1996:PGF,% Palmo:1998:EMI,% Pavelites:1997:MMF,% Raber:1999:GPR,% Reiling:1996:FFP,% Reindl:1996:NME,% Reindl:1997:EFFa,% Reindl:1997:EFFb,% Rinaldi:1992:FGO,% Smondyrev:1999:UAF,% Sulkes:1995:CAJ,% Sun:1994:FFC,% Thery:1994:QMC,% Urban:1993:CDE,% Wong:1995:ALS,% Yoo:1995:PLE,% Yoshioki:1994:IDG% }. \NAMECITE{fields}{% Cieplak:1991:UEP,% Dillen:1992:PPD,% 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\NAMECITE{IF}{% Kaupp:1999:RTN% }. \NAMECITE{{IGLO}}{% Facelli:1990:CIL,% Meier:1992:ICM% }. \NAMECITE{II}{% Amat:1999:FED,% Christiansen:1990:BRB,% Cundari:1998:CSM,% Davidson:1997:BRB,% Gilardoni:1999:CGE,% Ahlswede:1999:CMSb,% Anglada:1999:PATb,% Beachy:1998:PPE,% Bliznyuk:1996:NCMb,% Cao:1996:MSI,% Dauchez:1993:VMF,% Dillen:1995:EFFb,% Dudek:1998:PSP,% Francl:1996:CFE,% Giordan:1998:PAN,% Glendening:1998:NRTb,% Halgren:1996:MMFb,% Harrison:1996:THP,% Houser:1992:REC,% Janak:1992:PCPb,% Janezic:1995:HALa,% Jensen:1998:IQC,% Jonas:1992:TSOb,% Judson:1993:CSM,% Labanowski:1998:HFO,% Lii:1998:DHB,% Liwo:1997:URFb,% Lopez:1995:ESWb,% Maple:1994:DCI,% Maple:1998:DCI,% Marynick:1997:AMEb,% Mitchell:1999:BPMb,% Moscardo:1998:SCFb,% Palmer:1992:SGC,% Rodriguez:1994:SSC,% Shim:1998:MMSb,% Silla:1991:GID,% Sizova:1995:IPE,% Sosa:1998:IQC,% Sun:1999:PMD,% Tong:1992:ARE,% Vazquez:1992:MMS,% Wang:1993:ICP,% vonOnciul:1993:MOS% }. \NAMECITE{{III}}{% Frau:1992:TCL,% Frye:1991:HCM,% Fulscher:1991:SCN,% Glendening:1998:NRTc,% Halgren:1996:MMFc,% Janezic:1995:HALb,% Liwo:1998:URF,% Marynick:1998:AME,% Park:1993:DNA,% Pascual-ahuir:1994:GID,% Stewart:1991:OPS,% Treasurywala:1996:CSM,% Veldkamp:1992:TSO,% Winn:1999:TIF,% Zhou:1993:SLM% }. \NAMECITE{illustrated}{% Domotor:1993:EPH% }. \NAMECITE{imidazole}{% Alagona:1990:CSI,% Kabir:1991:ISP% }. \NAMECITE{imido}{% Cannon:1993:AFF% }. \NAMECITE{imine}{% Assfeld:1994:TAR,% DelRio:1998:TSE,% Fourre:1999:ELF,% Kontoyianni:1992:IMMa% }. \NAMECITE{immersed}{% David:1997:BSA% }. \NAMECITE{{IMOMM}}{% Maseras:1995:INI% }. \NAMECITE{Implementation}{% Adamo:1998:IVL,% Cesco:1999:IAB,% Cohen:1994:IAI,% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Feyereisen:1993:IDS,% Furlani:1995:IPD,% Hooft:1991:IUM,% Ripoll:1995:IEA,% Young:1994:IDP,% Augspurger:1990:COE,% Elvingson:1991:GBD,% Endo:1996:NIM,% Gunn:1996:PIP,% Karna:1991:FDN,% Li:1995:PIM,% Luthi:1992:CGP,% Paizs:1997:ESD,% Palmer:1994:NIP,% Pan:1998:PID,% Rossi:1998:FCI,% Stampfuss:1999:PIC,% Swanson:1995:PAP,% Vincent:1995:HPP,% Frye:1991:HCM% }. \NAMECITE{implementations}{% Nielsen:1995:PDI% }. \NAMECITE{implementing}{% Klopper:1997:SRI% }. \NAMECITE{implications}{% Alkorta:1993:CAT,% Norris:1993:TSP,% Orozco:1993:ISB% }. \NAMECITE{Implicit}{% Wagner:1999:ISM,% Engel:1999:EID,% Vasquez:1992:LIS,% Zhang:1993:LNA% }. \NAMECITE{implicit-integration}{% Zhang:1993:LNA% }. \NAMECITE{Importance}{% Lii:1999:ISP,% Pacchioni:1997:IMP,% Kulver:1990:FEC,% Alkorta:1993:CME% }. \NAMECITE{Important}{% Boldyrev:1992:IIS,% Brewster:1991:RBI% }. \NAMECITE{improper}{% Blondel:1996:NFD,% Tuzun:1997:ETP% }. \NAMECITE{improve}{% Davis:1991:DBS% }. \NAMECITE{Improved}{% Axelsen:1998:ICD,% Cisneros:1993:ISO,% Eisenhaber:1993:ISA,% Liotard:1995:IMS,% Taverner:1996:IAA,% Aerts:1995:IMM,% Allinger:1996:IFF,% Dillen:1990:IEF,% Duan:1995:GSI,% Ferro:1997:IFF,% Gogonea:1995:IAA,% Harrison:1993:SEC,% Koch:1995:IDM,% Morales:1993:PIT,% Norrby:1995:UCD,% Pascual-Ahuir:1990:GID,% Pascual-ahuir:1994:GID,% Silla:1991:GID,% Takashima:1999:LSI,% Winn:1999:TIF,% Cheng:1996:SST% }. \NAMECITE{improvement}{% VanDam:1996:IDI% }. \NAMECITE{Improvements}{% Peishoff:1992:IDG,% Xu:1992:IPD% }. \NAMECITE{Improving}{% Feenstra:1999:IEL,% Rega:1999:IPP,% Schweitzer:1993:APP% }. \NAMECITE{inaccessible}{% Weiser:1999:FAA% }. \NAMECITE{including}{% Carballeira:1990:DAM,% Cramer:1992:PSG,% Tolosa:1991:CSP,% VonFreyberg:1993:MEE,% Wan:1997:SDS% }. \NAMECITE{inclusion}{% Tai:1998:EIE% }. \NAMECITE{Incorporating}{% Sharp:1991:ISI,% Zhexin:1995:IPD% }. \NAMECITE{Incorporation}{% Pertsin:1994:IBL,% Zauhar:1991:IHF,% Smith:1998:ARI% }. \NAMECITE{{Increased}}{% Bruccoleri:1997:FDP% }. \NAMECITE{increasing}{% Baysal:1999:ESA% }. \NAMECITE{incremental}{% Ferguson:1990:MMC% }. \NAMECITE{increments}{% Bush:1999:CBC% }. \NAMECITE{independence}{% Bruccoleri:1993:GPI% }. \NAMECITE{independent}{% Alvarez-Collado:1992:NSM,% Galiatsatos:1990:EFL% }. \NAMECITE{Index}{% Covick:1990:FIT,% Baginki:1993:TCC,% Kantola:1991:ABP,% McMahon:1997:OCM,% Tratch:1990:CMA,% Vahtras:1994:DOI% }. \NAMECITE{indexes}{% Balaban:1993:SNR,% Chermette:1999:CRI% }. \NAMECITE{Indexing}{% Apostol:1999:IMP,% Yiu:1997:CIM% }. \NAMECITE{indices}{% Diudea:1991:MTI,% Parretti:1997:AMM% }. \NAMECITE{indigoid}{% Chen:1995:MSA% }. \NAMECITE{indirect}{% Tolosa:1990:OCC,% Visscher:1999:FFC% }. \NAMECITE{{INDMOL}}{% Shirsat:1993:DRH% }. \NAMECITE{{INDO}}{% Noga:1999:ABL,% Sizova:1995:IPE% }. \NAMECITE{induced}{% Cossi:1998:CCI,% Kaupp:1999:RTN,% Rao:1991:PRI% }. \NAMECITE{inert}{% Alvarez-Idaboy:1998:EMO% }. \NAMECITE{Inexpensive}{% Hassanzedeh:1998:IVA% }. \NAMECITE{infer}{% Valdes-Perez:1994:AIS% }. \NAMECITE{{Infia}}{% Brotherus:1999:IPR% }. \NAMECITE{Influence}{% Carballeira:1998:ICL,% Kohout:1997:ICV,% Li:1998:IEP,% Arnaud:1994:ISS,% Frau:1993:TCL,% delValle:1992:CSE% }. \NAMECITE{infrared}{% Clare:1996:SIS,% Lii:1992:IIB,% Palmo:1998:EMI,% deAzevedo:1996:CAI% }. \NAMECITE{inhibition}{% Leach:1995:MDS% }. \NAMECITE{inhibitor}{% Kikuchi:1996:ICA,% Murcko:1997:CAH% }. \NAMECITE{inhibitors}{% Guida:1992:PCS,% Hansen:1990:FEP,% Harris:1996:CSF,% Kolossvary:1999:LMC,% Murcko:1993:CAH,% Murcko:1997:CAH,% Welsh:1990:AMO,% Young:1997:BMC% }. \NAMECITE{inhomogeneous}{% Ramasesha:1990:NAS% }. \NAMECITE{initial}{% Garcia-Cruz:1999:ISI,% Forner:1992:DSD% }. \NAMECITE{Initio}{% Yahiro:1992:VPAb,% Al-Laham:1991:ISA,% Alagona:1990:CSI,% Alcami:1998:GIC,% Alhambra:1994:CNQ,% Alkorta:1993:CSB,% Arnaud:1994:ISS,% Ayma:1997:ICD,% Bachs:1994:OSC,% Benassi:1993:CPH,% Berg:1996:MMC,% Boehm:1991:ICS,% Boggs:1999:GPM,% Bohm:1995:ISC,% Boldyrev:1992:IIS,% Bonaccorsi:1991:IGO,% Breidung:1992:SIS,% Cai:1994:ISL,% Cao:1996:MSI,% Cao:1997:MSI,% Cho:1997:RBD,% Cordeiro:1993:ICW,% Csonka:1994:IMO,% Csonka:1996:SCI,% Csonka:1997:IDF,% Cummins:1990:MAB,% Dewar:1990:VPC,% Ding:1996:GZW,% Donini:1998:DMF,% Duncan:1998:TPI,% Earl:1990:ADI,% Earley:1993:UEC,% Eckert:1997:IGO,% Eggenberger:1993:UMD,% Eichler:1997:CIT,% Fagerburg:1991:CAI,% Feller:1993:ISH,% Ferenczy:1990:SAE,% Ferguson:1992:CIS,% Ford:1993:NAR,% Freeman:1997:IMO,% Freeman:1998:IMO,% Freindorf:1996:OLJ,% Gaedt:1998:CVF,% Garcia-Cruz:1999:ISI,% Gardner:1993:IMO,% Gastreich:1998:IPN,% Giordan:1996:PAN,% Glaser:1990:PPC,% Goldstein:1993:ISG,% Gonzalez:1997:HLI,% Gresh:1995:EZB,% Gresh:1995:MPL,% Gresh:1996:CBE,% Han:1997:IST,% Harris:1998:PEF,% Heidrich:1993:IMM,% Hernandez:1999:ICG,% Hobza:1997:PEP,% Huige:1995:FFP,% Ibrahim:1992:VII,% Illas:1993:BMH,% Janoschek:1994:CRO,% Jensen:1991:SUM,% Jursic:1996:ISH,% Kabir:1991:ISP,% Karfunkel:1992:IPP,% Karna:1999:ICH,% Kendrick:1992:IMM,% Klobukowski:1993:ISM,% Kneisler:1996:IDF,% Kontoyianni:1992:IMMa,% Kontoyianni:1992:IMMb,% Kovacs:1998:CID,% Krol:1990:AEI,% Kudo:1996:ISC,% Kumar:1998:LBH,% Kurita:1992:CAH,% Lee:1992:KRH,% Lee:1995:IMO,% Liang:1997:ICM,% Liu:1992:IES,% Llamas-Saiz:1995:GPT,% Lopez:1996:ISF,% Lopez:1999:ISR,% Luque:1996:EMS,% Masamura:1999:IMO,% Maseras:1995:INI,% Mastryukov:1998:AMG,% Maxwell:1995:CSR,% McEachern:1991:ICC,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Meier:1992:ICM,% Mestres:1994:CIQ,% Mitin:1998:CRE,% Momany:1990:UCD,% Nagy:1994:CMM% }. \NAMECITE{initio}{% Norrby:1995:UCD,% Nyulaszi:1997:RCR,% Orozco:1993:ISB,% Palmo:1991:CMM,% Pavankumar:1999:CIQ,% Perczel:1996:PMX,% Peticolas:1995:ICU,% Pettersson:1991:CER,% Philipp:1999:MIQ,% Po:1993:IMO,% Polavarapu:1992:ICM,% Pratt:1995:DFT,% Rauhut:1996:CID,% Reindl:1997:EFFa,% Reindl:1997:EFFb,% Reindl:1998:MMI,% Ribeiro-Claro:1996:SVF,% Rocha:1998:ICA,% Rodriguez:1993:QCM,% Roszak:1990:IMA,% Roszak:1990:MCC,% Roux:1995:PEF,% Salazar:1998:GMT,% Salzner:1997:IID,% Sanz:1990:TAE,% Schmitz:1994:HFO,% Seponer:1996:BSC,% Smith:1991:CPX,% Smith:1992:SSA,% Sola:1990:ISS,% Sosa:1998:IQC,% Sousa:1993:MFO,% Takashima:1999:LSI,% Tolosa:1991:CSP,% Ventura:1992:AGP,% Versteeg:1994:VIC,% Wang:1993:ICP,% Wiberg:1997:CDI,% Williams:1991:EHS,% Williams:1996:IMS,% Wong:1995:ICM,% Yin:1998:CIS,% deAzevedo:1996:CAI,% Allinger:1992:HFO,% Bonati:1992:MEP,% Bu:1999:ETR% }. \NAMECITE{initio-derived}{% Donini:1998:DMF% }. \NAMECITE{inorganic}{% Sargent:1991:BSG% }. \NAMECITE{{Insertion}}{% Jensen:1998:IQC% }. \NAMECITE{{Insight}}{% Gao:1997:ECA% }. \NAMECITE{Institute}{% Garst:1990:BRB% }. \NAMECITE{integer}{% Stradella:1993:TCS% }. \NAMECITE{Integral}{% Rauhut:1998:ITL,% Fulscher:1993:ERI,% Horn:1991:PTE,% Ishida:1998:RAC,% Kindermann:1992:PQM,% Li:1996:ETI,% Morales:1993:PIT,% Morales:1995:PIM,% Szombathely:1992:SAI,% Wolinski:1997:MPC,% Wong:1991:TEI,% Yahiro:1992:VPAa% }. \NAMECITE{integrals}{% Augspurger:1990:COE,% Augspurger:1990:GQM,% Cao:1997:MSI,% Cesco:1995:NET,% Flores:1992:LCI,% Jensen:1993:EOE,% Jones:1991:ALA,% Kozlowski:1992:MMI,% Rico:1993:LRM,% Ryu:1993:OUR,% Yahiro:1992:VPAa,% Yahiro:1992:VPAb,% Zhou:1994:SLM% }. \NAMECITE{integrate}{% Poland:1990:USI% }. \NAMECITE{integrated}{% Agrafiotis:1990:PNP,% Maseras:1995:INI,% McDowell:1996:DMD,% Mohamadi:1990:MIS% }. \NAMECITE{Integrating}{% Harrison:1999:IQM% }. \NAMECITE{integration}{% Baeza:1992:SAT,% Chipot:1996:AAP,% Cummins:1994:TIC,% Delley:1996:HOI,% Eisenhaber:1995:DCL,% Helms:1997:FEH,% Lensink:1996:SIM,% Mitchell:1991:FED,% Stefanov:1995:EAC,% Zhang:1993:LNA% }. \NAMECITE{integrator}{% Harrison:1993:SEC,% Lensink:1996:SIM% }. \NAMECITE{integrators}{% Zhang:1995:SIC% }. \NAMECITE{intelligence}{% Cohen:1994:IAI,% Leach:1990:AAI% }. \NAMECITE{Intensities}{% Lii:1992:IIB,% Lagant:1991:UUR,% McDowell:1996:DMD,% Palmo:1998:EMI,% deAzevedo:1996:CAI% }. \NAMECITE{Inter}{% Kikuchi:1996:ICA,% Bockisch:1992:TST,% Jurema:1993:APQ,% Khalil:1991:EIM,% Kikuchi:1999:SPF% }. \NAMECITE{Inter-{C}}{% Kikuchi:1996:ICA,% Kikuchi:1999:SPF% }. \NAMECITE{inter-conversions}{% Bockisch:1992:TST% }. \NAMECITE{interacting}{% Paizs:1997:ESD% }. \NAMECITE{Interaction}{% Battersby:1994:IBC,% Hobza:1991:ILA,% Castell:1996:RSS,% Cordeiro:1993:ICW,% Dachsel:1997:MPM,% Dobbyn:1998:PIC,% Dykstra:1997:QMC,% Ebert:1999:FRD,% Gagliardi:1997:DLA,% Gresh:1995:MPL,% Griffith:1997:MMS,% Guo:1991:ASI,% Halasz:1999:CBS,% Halgren:1999:MVC,% Hermida-Ramon:1998:TSI,% Hobza:1997:PEP,% Kovalenko:1999:STD,% Kozmutza:1993:CIE,% Kurita:1994:DAI,% Kurita:1995:EDA,% Lensink:1996:SIM,% Liwo:1997:URFa,% Lukes:1999:PFD,% Luque:1998:PEG,% Luty:1992:EEC,% Metzger:1997:CAI,% Orozco:1993:MIP,% Phillips:1990:CLT,% Rabinowitz:1998:IBC,% Rossi:1998:FCI,% Roszak:1992:CMM,% Sellers:1990:IPO,% Stampfuss:1999:PIC,% Vaara:1999:CRC,% Wan:1997:SDS,% Wu:1991:STS,% Zhu:1996:IIC% }. \NAMECITE{Interactions}{% Rabinowitz:1998:IBC,% AAqvist:1996:CAB,% Bruning:1991:EIH,% Chipot:1996:AAP,% DaCosta:1994:AOB,% Dinur:1990:NDT,% Donini:1998:DMF,% Dufner:1997:ESV,% Eichinger:1997:FAR,% Fulscher:1991:SCN,% Guenot:1993:CEE,% Halgren:1996:MMFb,% Hermann:1993:CHI,% Hernandez:1999:PGS,% Hunt:1996:FLT,% Knapp:1993:LMC,% Lein:1999:TDV,% Liang:1995:FFS,% Liwo:1997:URFb,% Luty:1995:MMG,% Mitchell:1999:BPMa,% Mitchell:1999:BPMb,% Nilar:1991:ASA,% Nonella:1997:ECD,% Norrby:1995:UCD,% Overill:1991:TTN,% Pitarch:1999:MLI,% Procacci:1997:OMD,% Roux:1995:PEF,% Shimada:1993:ECC,% Shimada:1994:PFM,% Tasaki:1993:OCT,% Tuzun:1997:ETP,% Tuzun:1997:TMI,% Young:1994:IDP,% Zheng:1992:SHB% }. \NAMECITE{interactive}{% Cohen:1994:IAI% }. \NAMECITE{interatomic}{% Hunt:1996:FLT% }. \NAMECITE{intercalating}{% Smith:1992:SSA% }. \NAMECITE{interconversion}{% ODonnell:1991:GAA,% Saunders:1991:SCN% }. \NAMECITE{interconversions}{% Li:1994:EMD% }. \NAMECITE{interdiffusion}{% Danielewski:1996:GSI% }. \NAMECITE{interest}{% Dauchez:1993:VMF,% Dauchez:1995:VMF,% Derreumaux:1990:VMF,% Mullay:1991:SMC,% St-Amant:1995:CMG% }. \NAMECITE{interface}{% Pascutti:1999:PEP,% Teppen:1998:MDS,% Varnek:1996:TCE,% Vincent:1995:HPP% }. \NAMECITE{intermediate}{% Sustmann:1992:AID% }. \NAMECITE{intermediates}{% Calvo-Losada:1998:RAI,% Zeigarnik:1998:SPP% }. \NAMECITE{intermolecular}{% Behnejad:1995:ELC,% Fulscher:1991:SCN,% Halasz:1999:CBS,% Halgren:1996:MMFb,% Halgren:1999:MVC,% Hermida-Ramon:1998:TSI,% Kurita:1994:DAI,% Kurita:1995:EDA,% Liang:1995:FFS,% Mitchell:1990:NNH,% Nilar:1991:ASA,% Valiron:1993:CPP,% Wheatley:1994:GMP% }. \NAMECITE{intermolecular-interaction}{% Halgren:1999:MVC% }. \NAMECITE{Internal}{% Engelsen:1995:IMC,% Flatters:1997:ICM,% Minyaev:1997:ICD,% Yoshioki:1994:IDG,% Yoshioki:1996:IDG,% Baker:1993:TGO,% Baker:1996:LTS,% Baker:1997:COD,% Berces:1997:GOM,% Bock:1992:EIR,% Chung-Phillips:1990:SIR,% Fausto:1992:CAC,% Gabb:1995:ECS,% Kolossvary:1993:TFC,% Lee:1999:NPA,% Llano:1996:BCR,% Mastryukov:1998:AMG,% Mazur:1997:QHE,% Nakamura:1998:PAE,% Palmo:1992:TRA,% Peng:1996:URI,% Polavarapu:1993:CFC,% Pye:1998:GAD,% Schnur:1991:DIS,% Teixeira-Dias:1991:CBI,% Totrov:1994:EPE,% Truhlar:1991:SAV% }. \NAMECITE{internally}{% Dobbyn:1998:PIC% }. \NAMECITE{internuclear}{% Magnusson:1993:SFMb% }. \NAMECITE{interparticle}{% Young:1994:IDP% }. \NAMECITE{interpenetrating}{% Alard:1991:DCS% }. \NAMECITE{interpolation}{% Berweger:1997:FEI% }. \NAMECITE{interpretation}{% Soo:1993:DCP,% Kerdcharoen:1996:BMD% }. \NAMECITE{interresidue}{% Kikuchi:1996:ICA% }. \NAMECITE{Interscience}{% Mezey:1991:BRB% }. \NAMECITE{intersecting}{% Jensen:1994:TSM% }. \NAMECITE{Intervals}{% Crippen:1995:IDD% }. \NAMECITE{intra}{% Khalil:1991:EIM% }. \NAMECITE{intramolecular}{% Barone:1994:MIP,% Cuma:1998:ENA,% Dudek:1995:AMI,% Fores:1999:CCS,% Han:1997:IST,% Kovacs:1996:TSI,% Lee:1990:TSI,% Reiling:1996:TIE,% Rios:1992:SSC,% Rodriguez:1994:SSC,% Sharafeddin:1997:MQC,% Smith:1993:CRP,% Fernandez:1992:TSS,% Vazquez:1992:MMS% }. \NAMECITE{intrinsic}{% Agarwal:1993:DQI% }. \NAMECITE{invariance}{% Arteca:1991:VAR% }. \NAMECITE{invariants}{% Balaban:1993:SNR,% Diudea:1991:MTI% }. \NAMECITE{inverse}{% Jensen:1993:EOE,% Robertson:1997:AII% }. \NAMECITE{inverse-square}{% Jensen:1993:EOE% }. \NAMECITE{inversion}{% Cammi:1995:RUA,% Ionova:1996:EVC,% Kovalenko:1999:STD,% Smeyers:1998:EPE,% Sygula:1992:PRI% }. \NAMECITE{Investigating}{% Acioli:1999:ICT% }. \NAMECITE{Investigation}{% Zhu:1996:IIC,% Berg:1996:MMC,% Bickelhaupt:1995:TIR,% Boldyrev:1992:IIS,% Gresh:1995:EZB,% Gresh:1996:CBE,% Heffelfinger:1996:CBT,% Jensen:1998:IQC,% Kontoyianni:1992:IMMb,% Kumar:1998:LBH,% Liu:1998:TIU,% Russo:1998:PTC,% Salzner:1997:IID,% Tiraboschi:1999:JQC,% Waller:1993:TIP% }. \NAMECITE{investigations}{% Buhl:1998:TIN,% Reiling:1996:TIE,% Schwerdtfeger:1993:TIT% }. \NAMECITE{involving}{% Boudon:1991:FEC,% Cummins:1990:MAB,% Ferguson:1992:FEP,% Hofmann:1990:CNU,% Lee:1997:TSK,% Sousa:1992:RAN% }. \NAMECITE{iodides}{% Carballeira:1990:DAM% }. \NAMECITE{ion}{% Cummins:1990:MAB,% Cummins:1998:MDF,% Glaser:1997:EEC,% Griffin:1993:EAC,% Leung:1998:TSS,% Pullman:1997:TSB,% Sharp:1991:ISI,% Tong:1995:RCI% }. \NAMECITE{ion-neutral}{% Griffin:1993:EAC% }. \NAMECITE{ionic}{% Pacchioni:1997:IMP,% Rashin:1991:NMC,% Sousa:1993:MFO% }. \NAMECITE{ionization}{% Antosiewicz:1996:CIS,% Chen:1998:PSP,% Gano:1991:EPA,% Hanebeck:1993:REC,% Morrison:1992:EKT% }. \NAMECITE{ionized}{% Cummins:1999:CSQ,% Hudson:1996:IIE% }. \NAMECITE{ionophores}{% Badertscher:1990:CAP% }. \NAMECITE{ions}{% Cummins:1994:TIC,% Ford:1999:SAA,% Glaser:1990:DIT,% Juffer:1996:APC,% Siegbahn:1996:MDH,% Voets:1990:TSP% }. \NAMECITE{{IPPP}}{% Cavasotto:1991:EEE% }. \NAMECITE{{IPPP-CLOPPA}}{% Cavasotto:1991:EEE% }. \NAMECITE{{IRC}}{% Zheng:1997:TSI% }. \NAMECITE{ISBN}{% Randic:1992:BRB,% Taylor:1999:BRB% }. \NAMECITE{isocyanates}{% Leung:1998:TSS% }. \NAMECITE{isodensity}{% Jug:1999:TRS,% Walker:1993:SGE% }. \NAMECITE{isodesmic}{% Wiberg:1997:CDI% }. \NAMECITE{isolated}{% Aihara:1996:FTI,% Aplincourt:1999:SIS% }. \NAMECITE{isomer}{% Goldstein:1993:ISG% }. \NAMECITE{isomeric}{% Bodor:1991:PPC% }. \NAMECITE{isomerization}{% Crouzy:1999:ECT,% Jursic:1996:DFG,% Ventura:1996:DFS% }. \NAMECITE{isomerizations}{% Baldwin:1998:TIV% }. \NAMECITE{isomers}{% Aihara:1996:FTI,% Bickelhaupt:1995:TIR,% Bockisch:1992:TST,% Boldyrev:1992:IIS,% 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Berg:1996:MMC,% Blondel:1996:NFD,% Bol:1998:MMM,% Carballeira:1990:DAM,% Cesco:1999:IAB,% Chen:1993:MMS,% Chen:1994:MSA,% Cho:1997:RBD,% Cieplak:1991:UEP,% Costa:1997:CAS,% Crowder:1991:CSM,% Cummins:1997:CSM,% Cummins:1999:CSQ,% Dixon:1997:ABA,% Fan:1994:MMM,% Ferguson:1990:MMC,% Ferguson:1991:CLJ,% Ferguson:1992:CIS,% Fernandez:1991:MMM,% Gajewski:1998:GMM,% Gilliom:1990:MMS,% Giordan:1996:PAN,% Gresh:1995:EZB,% Gresh:1996:CBE,% Griffith:1997:MMS,% Gundertofte:1991:CCE,% Gundertofte:1996:CCE,% Harrison:1999:IQM,% Helms:1997:FEH,% Hooft:1991:IUM,% Ivanov:1991:MMM,% Kandadai:1996:SSP,% Kar:1994:TMM,% Kendrick:1992:IMM,% Kerdcharoen:1996:BMD,% Kontoyianni:1992:IMMa,% Lee:1999:NPA,% Leonard:1990:MMP,% Li:1996:MMS,% Liang:1994:MMM,% Liang:1997:ICM,% Lii:1992:IIB,% Liu:1994:MMM,% Luty:1995:MMG,% Malhotra:1994:USD,% Maseras:1995:INI,% Maye:1991:HGP,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Mohamadi:1990:MIS,% Nagy:1994:CMM,% Nevins:1996:MMMa,% Nevins:1996:MMMb,% Nevins:1996:MMMc,% Nicklaus:1997:CEC,% Norrby:1995:UCD,% Norrby:1998:AMM,% Oberlin:1998:BSM,% Orozco:1993:ISB,% Palmo:1991:CMM,% Palmo:1992:TRA,% Palmo:1998:EMI,% Pavelites:1997:MMF,% Pettersson:1991:CER,% Peyman:1992:MRP,% Pitarch:1999:MLI,% Reindl:1998:MMI,% Rocha:1997:QMM,% Schweitzer:1993:APP,% Shim:1998:MMSa,% Shim:1998:MMSb,% Stewart:1992:MMS,% Swanson:1995:PAP,% Sygula:1992:PRI,% Tan:1993:YDM,% Tiraboschi:1999:JQC,% Totrov:1994:EPE,% Tunon:1996:CDF,% Tuzun:1997:ETP,% Urban:1993:CDE,% Varnek:1995:AMS,% Vazquez:1991:MMS,% Vazquez:1992:MMS,% Veenstra:1992:HTH,% Yoshikawa:1990:MMC,% Zauhar:1991:IHF,% Zimmermann:1991:OAP% }. \NAMECITE{mechanics/grid}{% Luty:1995:MMG% }. \NAMECITE{mechanism}{% Alvarez-Idaboy:1998:EMO,% Heard:1996:HSP,% Ibrahim:1992:VII,% Liu:1992:IES,% Pratt:1994:CSH,% Cruz:1997:GST% }. \NAMECITE{mechanisms}{% Alex:1992:MSE,% Assfeld:1994:TAR,% Li:1998:IEP,% vonOnciul:1993:MOS% }. \NAMECITE{Mechanistic}{% Cummins:1990:MAB,% Bickelhaupt:1999:URK% }. \NAMECITE{mediated}{% Katagi:1993:MPS% }. \NAMECITE{medium}{% Griffith:1997:MMS% }. \NAMECITE{medium-sized}{% Griffith:1997:MMS% }. \NAMECITE{{Medla}}{% Walker:1995:TSM% }. \NAMECITE{melt}{% Williams:1996:IMS% }. \NAMECITE{membered}{% Alcami:1998:GIC,% Bohm:1990:DAC,% Han:1997:IST,% Pointet:1997:PAP% }. \NAMECITE{membrane}{% Pascutti:1999:PEP% }. \NAMECITE{membranes}{% Smondyrev:1999:UAF,% Taga:1995:MCS% }. \NAMECITE{memories}{% Guarnieri:1995:CMS% }. \NAMECITE{memory}{% Bernardo:1995:EPP,% Covick:1990:FIT,% Debolt:1993:AMP,% Furlani:1995:IPD,% Gibrat:1994:NMA,% Limaye:1997:PME,% Lin:1992:MDD,% Marquez:1995:PCM,% Marquez:1997:PCS,% Mertz:1991:VPA,% Skeel:1991:MDS,% Covick:1996:PPT% }. \NAMECITE{mercaptans}{% Allinger:1997:MMS% }. \NAMECITE{Merck}{% Halgren:1996:MMFa,% Halgren:1996:MMFb,% Halgren:1996:MMFc,% Halgren:1996:MMFd,% Halgren:1996:MMFe% }. \NAMECITE{{mercury}}{% Cundari:1998:CSM% }. \NAMECITE{Merrifield}{% Mezey:1991:BRB% }. \NAMECITE{mesh}{% Ballestrero:1996:MDP,% Beck:1999:MHO,% Cortis:1997:ATD,% Li:1995:PIM% }. \NAMECITE{mesh-based}{% Li:1995:PIM% }. \NAMECITE{Meshed}{% Belostotskii:1998:MTB% }. \NAMECITE{meshes}{% Cortis:1997:NSP% }. \NAMECITE{message}{% Vincent:1995:HPP% }. \NAMECITE{metabolism}{% Waller:1993:TIP% }. \NAMECITE{metal}{% Bartol:1999:CST,% Berces:1997:GOM,% Bol:1998:MMM,% Dorigo:1994:SLN,% Duca:1998:MCM,% Furuki:1995:ARF,% Gajewski:1998:GMM,% Gresh:1995:MPL,% Leung:1998:TSS,% Leuwerink:1993:MDC,% Li:1992:ASO,% Li:1992:EST,% Magnusson:1993:CCE,% Magnusson:1995:EBM,% Mainz:1997:EPG,% Ruiz:1999:BSA,% Sargent:1991:BSG,% Yoshikawa:1990:MMC,% delaVega:1991:ASF% }. \NAMECITE{metal-free}{% Bol:1998:MMM% }. \NAMECITE{metallofullerenes}{% Nagase:1998:RAS% }. \NAMECITE{metals}{% Couty:1996:BST,% Hansen:1990:EBS,% Hofmann:1990:CNU% }. \NAMECITE{methane}{% Cundari:1998:CSM,% Fraschini:1998:HMP,% Metzger:1997:CAI,% Pepper:1995:SMP,% Sun:1995:HSM% }. \NAMECITE{methanes}{% Waller:1993:TIP% }. \NAMECITE{Method}{% Beroza:1996:CAA,% Kumar:1996:MFE,% Pearl:1998:MCB,% Abagyan:1994:INM,% Aerts:1995:IMM,% Agarwal:1993:DQI,% Andricioaei:1998:GOU,% Anglada:1997:RRQ,% Baeza:1992:SAT,% Baumer:1990:NMC,% Besalu:1998:CCE,% Bharadwaj:1995:FMB,% Bliznyuk:1999:SML,% Bofill:1994:UHM,% Bofill:1998:ACG,% Breneman:1997:QAH,% Cagin:1991:MMI,% Campos:1995:EMC,% Cao:1996:MSI,% Chen:1999:GLR,% Chiu:1999:ACM,% Costa:1997:CAS,% Davis:1991:HSA,% Dewar:1990:CCA,% Dixon:1994:FGO,% Domotor:1993:EPH,% Domotor:1996:TPA,% Duan:1995:GSI,% Dumont:1991:MMC,% Eisenhaber:1995:DCL,% Evans:1998:OEP,% Fenley:1996:FAM,% Ferenczy:1998:QMM,% Fox:1993:ESE,% Frye:1991:HCM,% Fukunishi:1997:PMF,% Furuki:1994:GPR,% Ganda-Kesuma:1994:LDR,% Gelabert:1994:AWM,% Ghose:1993:CSM,% Goede:1997:VCN,% Grant:1996:FMM,% Guarnieri:1994:RCS,% Han:1998:SOE,% Higo:1997:TCM,% Hobza:1997:PEP,% Hooft:1991:IUM,% Ionova:1996:EVC,% Ishida:1998:RAC,% Jin:1997:DNG,% Jones:1991:ALA,% Jorge:1997:UGB,% Jorge:1998:AGB,% Jung:1996:MMC,% Jurema:1993:APQ,% Jurema:1993:MMW,% Kennedy:1999:USH,% Klein:1998:SSV,% Knapp:1993:LMC,% Kobeissi:1993:FND,% Kono:1996:NMS,% Kovalenko:1999:STD,% Kozmutza:1991:CCC,% Kumar:1992:WHA,% Kumar:1995:MFE,% Lee:1992:KRH,% Lee:1997:NOM,% Lemak:1996:MDS,% Lu:1991:POM,% Luque:1994:OAM,% Luque:1996:EMS,% Luthi:1992:CGP,% Luty:1992:EEC,% Luty:1995:MMG,% Makino:1997:AFL,% Makino:1998:EFC,% Malcolm:1994:VBVa,% Marchese:1990:CNB,% Marti:1992:VSE,% Marynick:1998:AME,% McGarrah:1993:AGA,% Meier:1992:ICM,% Meza:1996:CDS,% Mineva:1998:SER,% Mitin:1998:CRE,% Mullay:1991:SMC,% Neto:1991:FTD,% Niesse:1997:GOA,% Nilar:1991:ASA,% Norrby:1995:UCD,% Oberlin:1998:BSM,% Panin:1996:DCM,% Park:1993:DNA,% Park:1995:DNA,% Pearlman:1994:FED,% Pillardy:1997:STG,% Plimpton:1996:NPM,% Purisima:1995:SYA,% Purisima:1998:FSB,% Radmer:1997:FEC,% Rashin:1991:NMC% }. \NAMECITE{method}{% Raymond:1999:CCC,% Reddy:1999:CRS,% Reindl:1996:NME,% Ripoll:1995:IEA,% Rodriguez:1994:SSC,% Roszak:1990:IMA,% Roszak:1990:MCC,% Saito:1990:HFE,% Severance:1995:GAS,% Sharp:1991:ISI,% Shen:1995:CBE,% Shepard:1990:DCM,% Smart:1997:CSP,% Sotomatsu:1991:TCS,% Sridharan:1995:RMC,% Stampfuss:1999:PIC,% Stewart:1990:RCC,% Su:1993:NMD,% Svensson:1996:CNS,% Szombathely:1992:SAI,% Tan:1993:YDM,% Tatewaki:1996:ASR,% Thery:1994:QMC,% Tunon:1996:CDF,% VanDam:1996:IDI,% Velikson:1992:CDH,% Verdonk:1994:TME,% Vorobjev:1997:FAM,% Walker:1995:ASG,% Wan:1997:SDS,% Wang:1994:ACD,% Wolinski:1997:MPC,% Yiu:1997:CIM,% Yoon:1990:BEM,% Young:1994:IDP,% Zauhar:1990:CEP,% Zauhar:1996:FSE,% Zhexin:1995:CEP,% Zhou:1999:GMS,% Eichler:1997:CIT% }. \NAMECITE{{Methodical}}{% Kolb:1993:BMM% }. \NAMECITE{methodological}{% Boggs:1999:GPM% }. \NAMECITE{methodology}{% Cieplak:1995:AMM,% Klopman:1994:AMC,% Salazar:1998:GMT,% Brooks:1995:HAL,% Dinur:1995:GDA,% Maple:1994:DCI% }. \NAMECITE{Methods}{% Merrifield:1989:TMC,% Trinajstic:1991:CCG,% Wolinski:1997:MPC,% deRijdt:1992:MCV,% Adamo:1998:IVL,% Alkorta:1993:CME,% Alsberg:1996:UMM,% Anonymous:2015:ECG,% Beck:1997:VNF,% Besler:1990:ACD,% Bliznyuk:1999:FGS,% Cammi:1995:RUA,% Cioslowski:1993:BPF,% Coolidge:1991:CMV,% Csonka:1997:STD,% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Dunn:1992:RSS,% Fabian:1991:TEH,% Facelli:1990:CIL,% Feyereisen:1993:IDS,% Forster:1991:CCM,% Furuki:1995:ARF,% Gaedt:1998:CVF,% Ghose:1993:CSM,% Gundertofte:1991:CCE,% Gundertofte:1996:CCE,% Harris:1996:CSF,% Hobza:1997:PEP,% Holst:1995:NSN,% Huisinga:1999:SDC,% Judson:1993:CSM,% Kieninger:1996:CEP,% Kovacs:1998:CID,% Lewin:1999:CMC,% Liotard:1995:IMS,% Luke:1994:SCC,% McMahon:1997:OCM,% Meza:1994:DSM,% Mezey:1991:BRB,% Mitin:1994:IMC,% Morales:1995:PIM,% Nagy:1994:CMM,% Okunbor:1994:CNM,% Orozco:1995:DOM,% Paizs:1998:CSB,% Patchkovskii:1996:ASD,% Pitarch:1999:MLI,% Pomelli:1998:DNP,% Radmer:1997:FEC,% Rico:1993:LRM,% Scano:1991:CSM,% Schmiedekamp:1994:TPA,% Shaffer:1993:CCM,% Sharafeddin:1997:MQC,% Shimada:1994:PFM,% Sigfridsson:1998:CMD,% Soliva:1997:SDF,% Soo:1993:DCP,% Steinbach:1994:NSC,% Stewart:1991:OPS,% Szafran:1993:RSE,% Treasurywala:1996:CSM,% Viswanadhan:1993:AMU,% Wu:1996:PVO,% Zakrzewski:1993:VAG,% Zhou:1993:SLM,% Zhou:1994:SLM,% vonFreyberg:1991:ESA,% DiNola:1998:FEC,% Noid:1990:MDS,% Christiansen:1990:BRB% }. \NAMECITE{methyl}{% Brewster:1991:RBI,% Cieplak:1991:UEP,% Crowder:1991:CSM,% Cummins:1990:MAB,% Cummins:1996:SEA,% El-Nahas:1994:SSE,% Hlavacek:1991:MSC,% Hwang:1999:CAT,% Kaupp:1990:PCM,% Liang:1994:MMM,% Mastryukov:1998:AMG,% Pettersson:1991:CER,% Smeyers:1998:EPE,% deAzevedo:1996:CAI% }. \NAMECITE{{methylalaninamide}}{% Sulzbach:1997:NCS% }. \NAMECITE{methylamides}{% Hlavacek:1991:MSC% }. \NAMECITE{methylation}{% Carballeira:1998:ICL% }. \NAMECITE{methylbutyronitrile}{% Crowder:1991:CSM% }. \NAMECITE{methylcarbamates}{% Katagi:1990:TSA% }. \NAMECITE{methyldioxirane}{% Anglada:1999:PATb% }. \NAMECITE{methylene}{% Cannon:1993:AFF% }. \NAMECITE{methylenecyclohexane}{% Jaime:1990:MCM% }. \NAMECITE{methylenecyclopentane}{% Jaime:1990:MCM% }. \NAMECITE{methylhydroxycarbene}{% Norris:1993:TSP% }. \NAMECITE{methylindole}{% Westbrook:1992:MEP% }. \NAMECITE{methylpterin}{% Cummins:1996:SEA% }. \NAMECITE{methylsulfonyl}{% Sustmann:1992:AID% }. \NAMECITE{{Metropolis}}{% Dumont:1991:MMC,% Jung:1996:MMC,% Senderowitz:1998:SPE% }. \NAMECITE{{Mezey}}{% Boughton:1993:CBP% }. \NAMECITE{{Mg}}{% Gresh:1996:CBE,% Marynick:1998:AME,% Papadakis:1997:CLS,% Stewart:1991:OPS% }. \NAMECITE{microcanonical}{% Dumont:1991:MMC% }. \NAMECITE{microclusters}{% Pullan:1997:EMM% }. \NAMECITE{Microscopic}{% Lee:1993:MSC,% Luzhkov:1992:MMQ% }. \NAMECITE{{Miertus}}{% Varnek:1995:AMS% }. \NAMECITE{{MIMIC}}{% Mestres:1997:MMF% }. \NAMECITE{mimicking}{% Baginki:1993:EGP% }. \NAMECITE{{MINDO}}{% Frau:1992:TCL,% Karaman:1991:CST,% Kass:1990:HAC,% Martin:1991:CCM,% Voets:1990:TSP% }. \NAMECITE{{MINDO/3}}{% Frau:1992:TCL,% Karaman:1991:CST,% Kass:1990:HAC,% Martin:1991:CCM,% Voets:1990:TSP% }. \NAMECITE{mineral}{% Teppen:1998:MDS% }. \NAMECITE{mineral/aqueous}{% Teppen:1998:MDS% }. \NAMECITE{minima}{% Arteca:1993:GMM,% Gelabert:1994:AWM,% Gilliom:1990:MMS,% Hansmann:1993:PPC,% Hartke:1999:GCG,% Rubio:1993:MSP,% Stanton:1990:EAN% }. \NAMECITE{minimal}{% Alagona:1990:EDF% }. \NAMECITE{Minimization}{% Fritsch:1991:MMD,% VonFreyberg:1993:MEE,% Andricioaei:1998:GOU,% Baysal:1999:PEM,% Besalu:1998:CCE,% Caflisch:1997:DMC,% Duan:1995:GSI,% Dudek:1990:PSP,% Dudek:1998:PSP,% Gibson:1994:APR,% Gibson:1994:REA,% Gibson:1997:EMR,% Guida:1992:PCS,% Halgren:1999:MVM,% Herrmann:1995:EMP,% Kundrot:1991:ACE,% Li:1998:CSU,% Meirovitch:1997:EMC,% Nayeem:1991:CSS,% Oberlin:1998:BSM,% Papadakis:1997:CLS,% Petitjean:1995:GMS,% Pullan:1997:EMM,% Ripoll:1995:IEA,% Stanton:1997:NAG,% Trosset:1999:FDS% }. \NAMECITE{minimized}{% Kennedy:1999:USH% }. \NAMECITE{minimizer}{% Derreumaux:1994:TNM,% Pothier:1993:MQN,% Zimmermann:1991:OAP% }. \NAMECITE{minimum}{% Farazdel:1991:DMC,% Glukhovtsev:1993:THM,% Klepeis:1999:CSG,% Mestres:1995:GAR,% Nayeem:1991:CSS,% Snow:1992:PSA% }. \NAMECITE{minimum-energy}{% Nayeem:1991:CSS% }. \NAMECITE{minor}{% Zacharias:1999:HMV% }. \NAMECITE{Mixed}{% Guarnieri:1994:RCS,% Philipp:1999:MIQ,% Fischer:1998:HMC,% Galiatsatos:1990:EFL,% Jensen:1991:SUM,% Lensink:1996:SIM,% Luque:1998:PEG,% Pullan:1997:EMM% }. \NAMECITE{mixed-canonical}{% Fischer:1998:HMC% }. \NAMECITE{Mixing}{% Sharafeddin:1997:MQC% }. \NAMECITE{MM}{% Cummins:1997:CSM,% Cummins:1999:CSQ,% Ivanov:1991:MMM,% Gao:1997:ECA,% Ivanov:1991:MMM,% Luque:1998:PEG,% Philipp:1999:MIQ% }. \NAMECITE{{MM-EHMO}}{% Ivanov:1991:MMM% }. \NAMECITE{MM2}{% Allinger:1994:MMC,% Costa:1997:CAS,% Fernandez:1991:MMM,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Badertscher:1990:CAP,% Froimowitz:1991:MGH,% Gundertofte:1991:CCE,% Hlavacek:1991:MSC,% Jaime:1990:MCM,% Kontoyianni:1992:IMMa,% Saunders:1991:SCN,% Schnur:1991:DIS,% Schweitzer:1993:APP,% Senderowitz:1993:MMS,% Stibor:1990:MSH,% Still:1990:ECV,% Tuzun:1997:ETP% }. \NAMECITE{{MM2-87}}{% Froimowitz:1991:MGH% }. \NAMECITE{{MM2/MM3}}{% Schnur:1991:DIS% }. \NAMECITE{MM3}{% Allinger:1990:MMMb,% Allinger:1993:MMC,% Allinger:1994:FFC,% Allinger:1994:MMC,% Anonymous:1997:ACF,% Cho:1997:RBD,% Fan:1994:MMM,% Liang:1994:MMM,% Liang:1997:ICM,% Lii:1992:IIB,% Liu:1994:MMM,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Allinger:1990:MMMa,% Dowd:1992:CAT,% French:1994:ARF,% Koca:1995:CAF,% Li:1994:EMD,% Liang:1996:PAR,% Lii:1991:MFF,% Lii:1998:DHB,% Saunders:1991:SCN,% Schnur:1991:DIS,% Sulkes:1995:CAJ,% Tai:1998:EIE,% Tuzun:1997:ETP% }. \NAMECITE{{MM3-MD}}{% Li:1994:EMD% }. \NAMECITE{MM4}{% Allinger:1996:HEC,% Allinger:1996:IFF,% Allinger:1997:MMS,% Nevins:1996:MMMa,% Nevins:1996:MMMb,% Nevins:1996:MMMc,% Tuzun:1997:ETP% }. \NAMECITE{{MMFF}}{% Halgren:1999:MVC,% Halgren:1999:MVM% }. \NAMECITE{{MMFF94}}{% Bush:1999:CBC,% Halgren:1996:MMFa,% Halgren:1996:MMFb,% Halgren:1996:MMFc,% Halgren:1996:MMFd,% Halgren:1996:MMFe,% Halgren:1999:MVC% }. \NAMECITE{{MMFF94s}}{% Halgren:1999:MVC,% Halgren:1999:MVM% }. \NAMECITE{{MNDO}}{% Fabian:1991:TEH,% Frau:1992:TCL,% Furuki:1995:ARF,% Gano:1991:EPA,% Hobza:1997:PEP,% Karaman:1990:CAS,% Karaman:1991:CST,% Kass:1990:HAC,% Katagi:1993:MPS,% Khalil:1991:EIM,% Kolb:1993:BMM,% Kolb:1993:MPH,% Luque:1990:CSM,% Martin:1991:CCM,% Orozco:1990:UAM,% Orozco:1995:DOM,% Patchkovskii:1996:ASD,% Patchkovskii:1999:NCS,% Rodriguez:1994:SSC,% Smith:1992:SSA,% Voets:1990:TSP% }. \NAMECITE{{MNDO-PM3}}{% Fabian:1991:TEH,% Katagi:1993:MPS% }. \NAMECITE{{MNDO/M}}{% Hobza:1997:PEP,% Khalil:1991:EIM% }. \NAMECITE{MO}{% Pavankumar:1999:CIQ,% Potter:1991:GOS,% Alex:1992:MSE,% Gleiter:1995:PPC,% Maxwell:1995:CSR,% Scano:1991:CSM,% Versteeg:1994:VIC,% Williams:1996:IMS,% Sierraalta:1994:CSE% }. \NAMECITE{{MO}-Studies}{% Alex:1992:MSE% }. \NAMECITE{{MO}-theoretical}{% Gleiter:1995:PPC% }. \NAMECITE{mobile}{% Spassov:1999:MSL% }. \NAMECITE{mode}{% Gibrat:1994:NMA,% Kitao:1991:CDP,% Kolossvary:1999:LMC,% Sawyer:1996:SCS,% Zhang:1993:LNA% }. \NAMECITE{Model}{% Toth:1993:MCS,% Antosiewicz:1996:CIS,% Barone:1998:GOM,% Beck:1994:NAO,% Beroza:1996:CAA,% Boehm:1997:TSB,% Boyd:1991:MSD,% Carballeira:1990:DAM,% Charifson:1991:FEC,% Coitino:1995:ESP,% Cramer:1992:PSG,% Cummins:1997:CSM,% Cummins:1998:MDF,% Dauchez:1993:VMF,% Dauchez:1995:VMF,% Derreumaux:1990:VMF,% Dixon:1997:ABA,% Duca:1998:MCM,% Ferguson:1995:PEF,% Floris:1991:DRC,% Fourre:1999:ELF,% Fox:1993:ESE,% Fraschini:1998:HMP,% Gao:1997:ECA,% Gilson:1995:MDS,% Hernandez:1999:ICG,% Howard:1995:MMM,% Hwang:1999:CAT,% Illas:1993:BMH,% Jurema:1993:APQ,% Katagi:1993:MPS,% Knapp:1992:LTD,% Knapp:1993:LMC,% Kneisler:1996:IDF,% Kolb:1993:BMM,% Kovalenko:1999:STD,% Li:1998:IEP,% Liwo:1997:MSS,% Martin:1991:CCM,% Martinez-Nunez:1997:CAM,% Mineva:1998:SER,% Olivella:1991:HPH,% Omalley:1999:HDF,% Palmo:1998:EMI,% Pomelli:1999:EGM,% Potter:1999:MDC,% Rauhut:1993:MPC,% Reddy:1998:SFE,% Rega:1999:IPP,% Roussel:1995:DDP,% Salzner:1997:IID,% Sawyer:1996:SCS,% Sokalski:1992:CAM,% Sousa:1993:MFO,% Sun:1995:HSM,% Tatewaki:1996:ASR,% Tiraboschi:1999:JQC,% Tunon:1996:CHF,% Varnek:1995:AMS,% Wiberg:1999:CDF,% Willock:1995:RMC,% Xu:1992:IPD,% Zhexin:1995:IPD,% delValle:1992:CSE,% Alex:1992:MSE,% Musolino:1990:ESP% }. \NAMECITE{Modeling}{% Hermann:1997:MHS,% Jurema:1993:MMW,% Peyman:1992:MRP,% Pitarch:1999:MLI,% Abagyan:1994:INM,% Aerts:1995:IMM,% Badertscher:1990:CAP,% Battersby:1994:IBC,% Black:1996:EBP,% Bol:1998:MMM,% Brodmeier:1994:AGA,% Cagin:1991:MMI,% Charifson:1990:CMM,% Colonna:1992:CAE,% Dudek:1995:AMI,% Endo:1996:NIM,% Engelsen:1995:IMC,% Flatters:1997:ICM,% Fulscher:1991:SCN,% Giordan:1997:BSM,% Jensen:1994:TSM,% Lipkowitz:1995:EMS,% Mohamadi:1990:MIS,% Pacchioni:1997:IMP,% Philipp:1999:MIQ,% Pitt:1993:AKB,% Reva:1996:LMA,% Roussel:1995:DDP,% Tirado-Rives:1996:VMM,% Trosset:1999:PSP,% Welsh:1990:MMS% }. \NAMECITE{Models}{% Casti:1989:ARM,% Siegbahn:1996:MDH,% Baeza:1992:SAT,% Baysal:1999:PEM,% Clare:1993:SEV,% Cossi:1998:CCI,% Crippen:1995:IDD,% Garst:1990:BRB,% Greatbanks:1997:CEC,% Hansen:1990:FEP,% Heidrich:1993:IMM,% Janezic:1995:HALa,% Liotard:1995:IMS,% Luzhkov:1992:MMQ,% Magnusson:1995:EBM,% Miyamoto:1992:SAV,% Mizan:1996:CRF,% Perczel:1996:PMX,% Price:1991:TAT,% Ritchie:1995:CPD,% Scarsi:1999:CVC,% Seponer:1996:BSC,% Sokalski:1993:MCA,% Tong:1995:RCI,% Tratch:1990:CMA,% Wagner:1999:ISM,% Wiberg:1997:CDI,% Williams:1994:FNA,% Williams:1999:SCM,% Wong:1995:ICM% }. \NAMECITE{Modern}{% Yarkony:1995:MES,% Kerdcharoen:1996:BMD,% Davidson:1997:BRB% }. \NAMECITE{modes}{% Dauber-Osguthorpe:1993:PMM,% Duong:1997:CAL,% Grafton:1998:VPA,% Konkoli:1997:DOV,% Tiraboschi:1999:JQC,% Zacharias:1999:HMV% }. \NAMECITE{modification}{% vanLenthe:1990:SSM% }. \NAMECITE{modifications}{% Ahlswede:1999:CMSa,% Ahlswede:1999:CMSb,% Karfunkel:1993:CSM,% Sines:1992:KEM% }. \NAMECITE{Modified}{% Illas:1993:BMH,% Senderowitz:1993:MMS,% Apostol:1999:IMP,% Dixon:1994:FGO,% Donini:1998:DMF,% Fritsch:1991:MMD,% Fukunishi:1997:PMF,% Gabb:1995:ECS,% Kovalenko:1999:STD,% Marynick:1997:AMEa,% Marynick:1997:AMEb,% Marynick:1998:AME,% Niesse:1997:GOA,% Park:1993:DNA,% Park:1995:DNA,% Rodriguez:1994:SSC,% Tomac:1998:MMS,% Wang:1994:ACD,% Winn:1999:TIF,% Kar:1994:TMM% }. \NAMECITE{modular}{% Tan:1993:YDM% }. \NAMECITE{Modulation}{% Barone:1994:MIP,% Alkorta:1993:CME% }. \NAMECITE{module}{% Debolt:1993:AMP% }. \NAMECITE{molar}{% Wong:1995:ICM% }. \NAMECITE{Molecular}{% Allinger:1990:MMMa,% Allinger:1990:MMMb,% Allinger:1993:MMC,% Allinger:1994:MMC,% Allinger:1997:MMS,% Amat:1998:MQS,% Ballestrero:1996:MDP,% Berg:1996:MMC,% Blanco:1991:MSG,% Bol:1998:MMM,% Bonati:1992:MEP,% Boyd:1991:MSD,% Cao:1996:MSI,% Cao:1997:MSI,% Chan:1998:MSG,% Chen:1994:MSA,% Crippen:1988:DGM,% Cummins:1998:MDF,% Depner:1992:MDS,% Diudea:1991:MTI,% Fan:1994:MMM,% Ferguson:1990:MMC,% Fernandez:1991:MMM,% Froimowitz:1991:MGH,% Gilliom:1990:MMS,% Gilson:1995:MDS,% Glunt:1993:MCD,% Griffith:1997:MMS,% Hardy:1993:MDS,% Ivanov:1991:MMM,% Lemak:1996:MDS,% Leonard:1990:MMP,% Leuwerink:1993:MDC,% Li:1996:MMS,% Liang:1994:MMM,% Liljefors:1998:RMD,% Lim:1997:MDV,% Lin:1992:MDD,% Liu:1994:MMM,% Nevins:1996:MMMa,% Nevins:1996:MMMb,% Nevins:1996:MMMc,% Ning:1999:MDS,% Noid:1990:MDS,% Oberhammer:1998:MSC,% Orozco:1993:MIP,% Ou:1998:MDS,% Potter:1999:MDC,% Reindl:1998:MMI,% Scheiner:1997:MEP,% Shim:1998:MMSa,% Shim:1998:MMSb,% Shoichet:1992:MDU,% Stewart:1992:MMS,% Taylor:1999:BRB,% Teppen:1998:MDS,% Valle:1999:MAC,% VanWullen:1997:MSB,% Vazquez:1992:MMS,% Welsh:1990:MMS,% Westbrook:1992:MEP,% Yoneda:1996:MDS,% Yoshikawa:1990:MMC,% vonOnciul:1993:MOS,% Acioli:1999:ICT,% Aerts:1995:IMM,% Agarwal:1993:DQI,% Alagona:1991:FFP,% Aleman:1993:SPD,% Alex:1992:MSE,% Alhambra:1994:CNQ,% Alkorta:1993:CSB,% Allinger:1996:HEC,% Amisaki:1995:EED,% Andricioaei:1998:GOU,% Arteca:1991:TAM,% Arteca:1993:GMM,% Auffinger:1990:HTA,% Bakowies:1996:STE,% Barone:1997:DVF,% Barone:1998:GOM,% Barth:1995:ACM,% Bass:1993:SSC,% Battersby:1994:IBC,% Beck:1994:NAO,% Becker:1998:PCM,% Bekker:1997:UBS,% Benassi:1993:CPH,% Berweger:1997:FEI,% Bharadwaj:1995:FMB,% Bickelhaupt:1999:URK,% Bishop:1997:DMT,% Black:1996:EBP,% Bliznyuk:1996:NCMa,% Bliznyuk:1996:NCMb,% Blondel:1996:NFD,% Bonaccorsi:1991:IGO,% Bone:1997:EEM% }. \NAMECITE{molecular}{% Bour:1997:TMP,% Bravi:1997:SSO,% Breneman:1990:DAC,% Brodmeier:1994:AGA,% Burt:1990:AMS,% Cai:1998:NAR,% Carballeira:1990:DAM,% Cesco:1999:IAB,% Charifson:1990:CMM,% Chen:1993:MMS,% Chen:1995:MSA,% Chen:1998:PSP,% Chiu:1999:ACM,% Cho:1997:RBD,% Cieplak:1991:UEP,% Constans:1997:TGM,% Coolidge:1991:CMV,% Cossi:1996:AFD,% Costa:1997:CAS,% Cramer:1992:PSG,% Crowder:1991:CSM,% Csonka:1994:IMO,% Csonka:1996:SCI,% Cummins:1996:SEA,% Cummins:1997:CSM,% Cummins:1999:CSQ,% DaCosta:1994:AOB,% Dauber-Osguthorpe:1993:PMM,% Dauchez:1993:VMF,% Dauchez:1995:VMF,% Debolt:1993:AMP,% Delfini:1996:PAD,% Derreumaux:1990:VMF,% Dewar:1990:VPC,% Diller:1999:CES,% Dixon:1997:ABA,% Du:1996:DFS,% Dunitz:1990:BRB,% Earley:1993:UEC,% Eggenberger:1993:UMD,% Eichinger:1997:FAR,% Eisenhaber:1993:ISA,% Eisenhaber:1995:DCL,% Engelsen:1995:IMC,% Ewing:1997:CES,% Falk:1996:DSN,% Feenstra:1999:IEL,% Ferenczy:1998:QMM,% Ferguson:1991:CLJ,% Ferguson:1992:CIS,% Field:1990:CQM,% Ford:1993:NAR,% Freeman:1997:IMO,% Freeman:1998:IMO,% Freindorf:1996:OLJ,% Fritsch:1991:MMD,% Frye:1991:HCM,% Gajewski:1998:GMM,% Gardner:1993:IMO,% Genest:1999:CMA,% Gibrat:1994:NMA,% Gibson:1990:VSM,% Giordan:1996:PAN,% Giordan:1997:BSM,% Glaser:1998:AES,% Grant:1996:FMM,% Gresh:1995:EZB,% Gresh:1996:CBE,% Gronbech-Jensen:1994:LTO,% Grubmuller:1998:MTS,% Grunenberg:1997:CMV,% Gundertofte:1991:CCE,% Gundertofte:1996:CCE,% Halgren:1996:MMFa,% Halgren:1996:MMFb,% Halgren:1996:MMFc,% Halgren:1996:MMFd,% Halgren:1996:MMFe,% Hardy:1993:CAM,% Harrison:1993:SEC,% Harrison:1999:IQM,% Harvey:1998:FIC,% Heiden:1993:FGM,% Helms:1997:FEH,% Henchman:1999:GOL,% Hermann:1993:CHI,% Hermann:1997:MHS,% Hermans:1992:PFE,% Hess:1997:LLC,% Higo:1994:AHP,% Higo:1994:STD,% Hobza:1995:DFT,% Hooft:1991:IUM,% Howard:1995:MMM,% Ihlenfeldt:1994:HCI,% Janak:1992:PCPb,% Janezic:1995:HALb% }. \NAMECITE{molecular}{% Johnson:1990:CAM,% Jones:1993:PSM,% Jurema:1993:APQ,% Kandadai:1996:SSP,% Kar:1994:TMM,% Kendrick:1992:IMM,% Kerdcharoen:1996:BMD,% Khalil:1991:EIM,% Kitchen:1990:CED,% Klopmand:1992:BRB,% Koch:1995:IDM,% Komeiji:1997:FAM,% Kontoyianni:1992:IMMa,% Kontoyianni:1992:IMMb,% Kouwijzer:1993:CTF,% Kovacs:1996:TSI,% Krack:1997:AME,% Kroemer:1996:DED,% Kundrot:1991:ACE,% Kurita:1992:CAH,% Lagant:1991:UUR,% LeGrand:1993:RAM,% Leach:1995:MDS,% Lee:1995:IMO,% Lee:1999:NPA,% Li:1994:EMD,% Li:1998:CSU,% Liang:1997:ICM,% Lii:1992:IIB,% Lipkowitz:1995:EMS,% Liu:1994:CMM,% Luque:1990:CSM,% Luque:1998:PEG,% Luty:1995:MMG,% Magnusson:1993:SFMa,% Magnusson:1993:SFMb,% Makino:1998:EFC,% Malhotra:1994:USD,% Marynick:1997:AMEa,% Marynick:1997:AMEb,% Marynick:1998:AME,% Masamura:1999:IMO,% Maseras:1995:INI,% Maye:1991:HGP,% Mazur:1997:QHE,% McGarrah:1993:AGA,% McGaughey:1995:IMM,% McGaughey:1996:IMM,% McMahon:1997:OCM,% Meng:1991:DMT,% Mertz:1991:VPA,% Mestres:1994:CIQ,% Mestres:1997:MMF,% Meza:1994:DSM,% Mitin:1998:USR,% Mohamadi:1990:MIS,% Morales:1995:PIM,% Moret:1998:SMO,% Mullay:1991:SMC,% Nagy:1994:CMM,% Nakajima:1996:REM,% Nicklaus:1997:CEC,% Niesse:1997:GOA,% Norrby:1995:UCD,% Norrby:1998:AMM,% ODonnell:1991:GAA,% Oberlin:1998:BSM,% Okunbor:1994:CNM,% Orozco:1993:ISB,% Ott:1996:PGF,% Palmo:1991:CMM,% Palmo:1992:TRA,% Palmo:1998:EMI,% Parretti:1997:AMM,% Pascual-Ahuir:1990:GID,% Pascual-ahuir:1994:GID,% Pascutti:1999:PEP,% Pavankumar:1999:CIQ,% Pavelites:1997:MMF,% Pearl:1998:MCB,% Petitjean:1995:GMS,% Pettersson:1991:CER,% Peyman:1992:MRP,% Pitarch:1999:MLI,% Platt:1996:ROS,% Plimpton:1996:NPM,% Po:1993:IMO,% Polavarapu:1992:ICM,% Pomelli:1998:DNP,% Pomelli:1999:EGM,% Procacci:1997:OMD,% Rabinowitz:1998:IBC,% Rauhut:1993:MPC,% Richard:1991:QCM,% Rico:1998:RPM,% Ritchie:1999:FCR,% Roccatano:1998:DPM% }. \NAMECITE{molecular}{% Rocha:1997:QMM,% Rodriguez:1993:QCM,% Roszak:1990:IMA,% Roszak:1990:MCC,% Roszak:1992:CMM,% Rubio:1993:MSP,% Ryu:1993:OUR,% Salvino:1993:CAB,% Sanchez:1997:SSE,% Schmidt:1993:GAM,% Schweitzer:1993:APP,% Sen:1999:SPA,% Sharafeddin:1997:MQC,% Sharp:1991:ISI,% Shen:1990:HSS,% Shenkin:1994:CAM,% Shiratori:1991:PCB,% Silla:1991:GID,% Smondyrev:1999:UAF,% Sokalski:1993:MCA,% St-Amant:1995:CMG,% Stanton:1990:EAN,% Stanton:1995:EDF,% Sternberg:1994:NAS,% Straatsma:1990:AVG,% Sun:1992:CSE,% Sun:1999:PMD,% Swanson:1995:PAP,% Sygula:1992:PRI,% Tan:1993:YDM,% Tasaki:1993:OCT,% Taverner:1996:IAA,% Thery:1994:QMC,% Tiraboschi:1999:JQC,% Tirado-Rives:1996:VMM,% Torda:1994:ACM,% Toyoda:1999:DME,% Tunon:1996:CDF,% Turner:1995:RVM,% Tuzun:1997:ETP,% Tuzun:1997:TMI,% Urban:1993:CDE,% Valdes-Perez:1994:AIS,% Varnek:1995:AMS,% Vazquez:1991:MMS,% Veenstra:1992:HTH,% Venanzi:1991:MOS,% Walker:1991:CSC,% Wang:1991:GSM,% Weiser:1998:ENL,% Weiser:1998:NLR,% Welsh:1990:AMO,% Wertz:1992:CDG,% Williams:1999:SCM,% Willock:1995:RMC,% Wilson:1997:RDD,% Woods:1990:DNA,% Wu:1991:STS,% Yoo:1995:PLE,% Yoon:1990:BEM,% 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Gorse:1994:UFP,% Grafton:1998:VPA,% Grimme:1994:MCS,% Grundler:1990:HMS,% Han:1998:SOE,% Hanebeck:1993:REC,% Hassanzedeh:1998:IVA,% Head:1990:POL,% Hertwig:1995:ADF,% Huzinaga:1993:EDP,% Jelski:1996:NVS,% Judson:1993:CSM,% Judson:1995:DFM,% Jurema:1993:APQ,% Karfunkel:1992:IPP,% Karna:1991:FDN,% Kolle:1997:SES,% Kolossvary:1993:TFC,% Krol:1990:AEI,% Kurtz:1990:CNO,% Labanowski:1998:HFO,% Leach:1990:AAI,% Lee:1992:KRH,% Ludena:1999:LST,% MagelaeSilva:1997:ECE,% Makino:1998:EFC,% Maple:1994:DCI,% Mitin:1998:CRE,% Mohamadi:1990:MIS,% Moscardo:1998:SCFb,% Neto:1994:PAC,% Nissink:1997:SME,% Orozco:1993:CBM,% Park:1993:DNA,% Park:1995:DNA,% Parretti:1997:AMM,% Pertsin:1994:IBL,% Phillips:1990:CLT,% Pisani:1994:RDF,% Ponec:1999:EPC,% Rega:1999:IPP,% Rinaldi:1992:FGO,% Scano:1991:CSM,% Schmitz:1994:HFO,% Schwieters:1994:DFE,% Senderowitz:1998:MJS,% Sridharan:1995:RMC,% St-Amant:1995:CMG,% Stouch:1991:SLC,% Tasi:1992:RMA,% Teleman:1990:SFO,% Tomac:1998:MMS,% Tomimoto:1996:CAN,% 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\NAMECITE{monosubstituted}{% Szafran:1991:PSP,% VanWullen:1997:MSB,% Voets:1990:TSP% }. \NAMECITE{Monte}{% Dumont:1991:MMC,% Jorgensen:1998:TDT,% Jung:1996:MMC,% Senderowitz:1998:SPE,% Briggs:1990:MCS,% Caflisch:1997:DMC,% Carlacci:1996:LPP,% Chiu:1999:ACM,% Clamp:1994:HMC,% Colominas:1999:MCM,% Duca:1998:MCM,% Dunn:1992:RSS,% Dykstra:1997:QMC,% Evans:1998:OEP,% Fajardo:1997:MCS,% Fischer:1998:HMC,% Gabb:1995:ECS,% Gabb:1997:CVM,% Ghomi:1994:MCS,% Gonzalez-Lafont:1991:MCS,% Guarnieri:1994:RCS,% Guida:1992:PCS,% Heffelfinger:1996:CBT,% Higo:1997:TCM,% Hu:1991:VGM,% Jones:1993:PSM,% Jorgensen:1993:MCSa,% Jorgensen:1993:MCSb,% Juffer:1996:APC,% Knapp:1993:LMC,% Kulver:1990:FEC,% Marchese:1990:CNB,% Meirovitch:1997:EMC,% Morley:1992:DMH,% Nagy:1994:CMM,% Nayeem:1991:CSS,% Parretti:1997:AMM,% Perez:1992:MCS,% Pertsin:1994:IBL,% Ripoll:1995:IEA,% Senderowitz:1998:MJS,% Smart:1997:CSP,% Taga:1995:MCS,% Trosset:1999:FDS,% Tunon:1996:CDF,% Velikson:1992:CDH,% vonFreyberg:1991:ESA% }. \NAMECITE{mori}{% Morales:1992:GED% }. \NAMECITE{{MORMIN}}{% Pothier:1993:MQN% }. \NAMECITE{{Morse}}{% Dagher:1993:GMA,% Dagher:1995:TDP% }. \NAMECITE{most}{% Pillardy:1997:STG,% Rubio:1993:MSP% }. \NAMECITE{motion}{% Dauber-Osguthorpe:1993:PMM,% Dorigo:1994:SLN,% Mazur:1997:QHE,% Miller:1990:FSD% }. \NAMECITE{motions}{% Engelsen:1995:IMC,% Genest:1999:CMA% }. \NAMECITE{{MP2}}{% Boldyrev:1992:IIS,% Cioslowski:1993:BPF,% Franke:1998:FOR,% Haase:1993:SMG,% Limaye:1997:PME,% Marquez:1995:PCM,% Paizs:1998:CSB,% Vos:1990:SMC% }. \NAMECITE{{MP2}-energy}{% Limaye:1997:PME% }. \NAMECITE{{MPGRAD}}{% Haase:1993:SMG% }. \NAMECITE{{MPSim}}{% Lim:1997:MDV% }. \NAMECITE{{MRCEPA}}{% VanDam:1996:IDI% }. \NAMECITE{{MRCI}}{% VanDam:1996:IDI% }. \NAMECITE{{MRD}}{% Barclay:1991:MCP,% Grimme:1994:MCS,% Roszak:1990:MCC% }. \NAMECITE{{MSEED}}{% Perrot:1992:MPR% }. \NAMECITE{{MST}}{% Bachs:1994:OSC,% Colominas:1999:MCM,% Luque:1994:OAM,% Luque:1996:EMS,% Orozco:1993:CBM,% Orozco:1995:DOM% }. \NAMECITE{{MST-SCRF}}{% Bachs:1994:OSC,% Luque:1994:OAM% }. \NAMECITE{{MST/SCRF}}{% Luque:1996:EMS,% Orozco:1993:CBM,% Orozco:1995:DOM% }. \NAMECITE{Multi}{% Tomac:1998:MMS,% Wolinski:1997:MPC% }. \NAMECITE{multi-{Fock}}{% Wolinski:1997:MPC% }. \NAMECITE{Multi-multigrid}{% Tomac:1998:MMS% }. \NAMECITE{multibody}{% Tuzun:1997:TMI% }. \NAMECITE{multicanonical}{% Hansmann:1993:PPC,% Higo:1997:TCM% }. \NAMECITE{Multicenter}{% Kozlowski:1992:MMI,% Rauhut:1993:MPC,% Rico:1993:LRM,% Roszak:1992:CMM% }. \NAMECITE{multicomponent}{% Danielewski:1996:GSI% }. \NAMECITE{multiconfiguration}{% Vahtras:1994:DOI% }. \NAMECITE{multiconformational}{% Cieplak:1995:AMM,% Senderowitz:1998:MJS% }. \NAMECITE{Multidimensional}{% Bartels:1997:MAU,% Kumar:1995:MFE,% Alvarez-Collado:1992:NSM,% Bartels:1997:GGA,% Kuczera:1996:OMC,% Papadakis:1997:CLS,% Beckers:1998:MAD% }. \NAMECITE{multifunctional}{% Morley:1992:DMH% }. \NAMECITE{Multigrid}{% Beck:1999:MHO,% Holst:1993:MSP,% Tomac:1998:MMS,% Vorobjev:1997:FAM% }. 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Skeel:1991:MDS% }. \NAMECITE{multipurpose}{% Pla:1991:OMP% }. \NAMECITE{multireference}{% Dachsel:1997:MPM,% Dobbyn:1998:PIC,% Stampfuss:1999:PIC% }. \NAMECITE{multistrand}{% Gibson:1994:APR% }. \NAMECITE{Multivariate}{% Beckers:1998:MAD,% Alsberg:1996:UMM,% Randic:1991:COP% }. \NAMECITE{Munksgaard}{% Taylor:1999:BRB% }. \NAMECITE{mutants}{% Endo:1996:NIM% }. \NAMECITE{{Mutation}}{% Wunz:1992:NFE% }. \NAMECITE{{MX}}{% Breidung:1992:SIS% }. \NAMECITE{myelin}{% Gilliom:1990:MMS% }. \NAMECITE{N}{% Anonymous:1997:ACF,% Anonymous:2015:ECG,% Boldyrev:1992:IIS,% Griffith:1997:MMS,% Kurita:1994:DAI,% Kurita:1995:EDA,% Sulzbach:1997:NCS,% Kurita:1994:DAI,% Dixon:1994:FGO,% Gastreich:1998:IPN,% Hlavacek:1991:MSC,% Holden:1993:PPC,% Kurita:1994:DAI,% Kurita:1995:EDA,% McDowell:1996:DMD,% Patchkovskii:1999:NCS,% Tronchet:1994:CEA,% Verdonk:1994:TME% }. \NAMECITE{{N}-}{% Holden:1993:PPC% }. \NAMECITE{{N-NMR}}{% Gastreich:1998:IPN% }. \NAMECITE{{N'-tetramethyl-P-diaminobenzene-chloranil}}{% 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\NAMECITE{{Origin}}{% Liwo:1998:URF% }. \NAMECITE{Origins}{% Laidig:1996:ORA% }. \NAMECITE{ortho}{% Ou:1998:MDS,% Sotomatsu:1991:TCS% }. \NAMECITE{ortho-terphenyl}{% Ou:1998:MDS% }. \NAMECITE{{Orthogonal}}{% Zhou:1993:SLM% }. \NAMECITE{orthogonalized}{% Randic:1993:FNR% }. \NAMECITE{other}{% Bickelhaupt:1999:URK,% Froimowitz:1993:CAC,% Halgren:1999:MVC,% Seminario:1992:CSR,% Shaffer:1993:CCM,% Teleman:1990:SFO% }. \NAMECITE{out-of-plane}{% Lee:1999:NPA,% Miller:1990:FSD,% Tuzun:1997:ETP% }. \NAMECITE{outer}{% Couty:1996:BST% }. \NAMECITE{over-relaxation}{% Nicholls:1991:RFD% }. \NAMECITE{overall}{% Teleman:1990:SFO% }. \NAMECITE{overdamped}{% Gronbech-Jensen:1994:LTO% }. \NAMECITE{Overestimation}{% Tolosa:1990:OCC% }. \NAMECITE{{Overhauser}}{% Forster:1991:CCM,% Forster:1994:RNO,% Pothier:1993:MQN% }. \NAMECITE{overlap}{% Li:1996:ETI% }. \NAMECITE{overlaps}{% Weiser:1999:AAS% }. \NAMECITE{oxazole}{% Kabir:1991:ISP,% Shaffer:1993:CCM% }. \NAMECITE{oxidation}{% Brewster:1991:RBI,% Garcia-Cruz:1999:ISI,% Smith:1993:CRP,% vonOnciul:1993:MOS% }. \NAMECITE{oxide}{% Rauhut:1996:CID% }. \NAMECITE{oxo}{% Janoschek:1994:CRO,% Katagi:1990:ASA% }. \NAMECITE{oxovanadium}{% Buhl:1998:TIN% }. \NAMECITE{oxyacids}{% Dixon:1993:EOO% }. \NAMECITE{oxyethylene}{% Depner:1992:MDS% }. \NAMECITE{oxygen}{% Baboul:1998:CSN,% Liwo:1997:MSS,% Lommerse:1997:HBC,% Nobeli:1997:HBP% }. \NAMECITE{oxygenated}{% Glaser:1990:PPC% }. \NAMECITE{oxymethylpyridines}{% Norrby:1995:UCD% }. \NAMECITE{oxyphosphoranes}{% Glaser:1990:PPC% }. \NAMECITE{P}{% Breidung:1992:SIS,% Cruz:1997:GST,% Kurita:1994:DAI,% Kurita:1995:EDA,% Murcko:1997:CAH,% Taylor:1999:BRB,% Murcko:1993:CAH,% Cruz:1997:GST,% Glaser:1990:PPC% }. \NAMECITE{{{P.C.}}}{% Varnali:1992:BRB% }. \NAMECITE{{P450}}{% Harris:1996:CSF,% Katagi:1993:MPS% }. \NAMECITE{{P450}-mediated}{% Katagi:1993:MPS% }. \NAMECITE{{P450cam}}{% Bass:1993:SSC% }. \NAMECITE{pack}{% vanEijck:1999:UPP% }. \NAMECITE{package}{% Swanson:1995:PAP,% Trosset:1999:PSP,% vanEijck:1999:UPP% }. \NAMECITE{packing}{% Carlacci:1991:NDE,% Gibson:1994:APR,% Gibson:1994:REA% }. \NAMECITE{pair}{% Badertscher:1990:CAP,% Cullen:1992:LEP,% Gabdoulline:1995:ECC,% Jursic:1996:ISH,% Leung:1998:TSS,% Roccatano:1998:DPM,% Santamaria:1994:SEP,% Santamaria:1999:VSN% }. \NAMECITE{pairing}{% Ponec:1999:EPC% }. \NAMECITE{pairs}{% Pranata:1993:RBC,% Ritchie:1995:CPD% }. \NAMECITE{pairwise}{% Dinur:1990:NDT,% Weiser:1999:AAS% }. \NAMECITE{palladium}{% Sellers:1990:IPO% }. \NAMECITE{{Palmitoyl}}{% Li:1996:MMS% }. \NAMECITE{pancreatic}{% Kikuchi:1996:ICA,% Palmer:1992:SGC% }. \NAMECITE{papain}{% Kandadai:1996:SSP% }. \NAMECITE{paperback}{% Davidson:1997:BRB,% Davidson:1997:BRB% }. \NAMECITE{paracyclophanes}{% Bockisch:1992:TST% }. \NAMECITE{Parallel}{% Beachy:1998:PPE,% Brode:1993:PDS,% Chasman:1998:PPE,% Dobbyn:1998:PIC,% Gunn:1996:PIP,% Li:1995:PIM,% Limaye:1997:PME,% Marquez:1995:PCM,% Marquez:1997:PCS,% Nakamura:1998:PAE,% Neto:1994:PAC,% Nielsen:1995:PDI,% Pan:1998:PID,% Venuvanalingam:1991:PAC,% Ballestrero:1996:MDP,% Becker:1997:RPP,% Bernardo:1995:EPP,% Campbell:1996:APH,% Carbo:1992:CAP,% Covick:1990:FIT,% Covick:1996:PPT,% Dachsel:1997:MPM,% Debolt:1994:FEP,% Furlani:1995:IPD,% Goodfellow:1990:UPP,% Heffelfinger:1996:CBT,% Janak:1992:PCPa,% Janak:1992:PCPb,% Lim:1997:MDV,% Luthi:1992:CGP,% Mertz:1991:VPA,% Plimpton:1996:NPM,% Rendell:1993:DDP,% Roccatano:1998:DPM,% Rossi:1998:FCI,% Schweitzer:1993:APP,% Shirsat:1993:DRH,% Sosa:1998:IQC,% Stampfuss:1999:PIC,% Swanson:1995:PAP,% Toyoda:1999:DME,% Vincent:1995:HPP,% VonArnim:1998:PPT,% Wolinski:1997:MPC,% Wong:1995:ALS,% Young:1994:IDP,% Janak:1992:PCPa,% Janak:1992:PCPb% }. \NAMECITE{parallel-coordinates}{% Becker:1997:RPP% }. \NAMECITE{Parallelization}{% Jones:1993:PSM,% Kindermann:1992:PQM,% Debolt:1993:AMP,% Totrov:1994:EPE% }. \NAMECITE{{PARAM}}{% Shirsat:1993:DRH% }. \NAMECITE{paramagnetic}{% Karna:1999:ICH% }. \NAMECITE{Parameter}{% Liang:1996:PAR,% Buturovic:1994:FSR,% Clark:1995:FLD,% Iwao:1998:ERN% }. \NAMECITE{Parameterization}{% Ferguson:1995:PEF,% Cramer:1992:PSG,% Faller:1999:APF,% Furuki:1994:GPR,% Gaedt:1998:CVF,% Halgren:1996:MMFa,% Leonard:1990:MMP,% Liang:1994:MMM,% Liang:1996:PAR,% Norrby:1998:AMM,% Schnur:1991:DIS,% Liwo:1997:URFb% }. \NAMECITE{parameterized}{% Tunon:1996:CHF% }. \NAMECITE{parameters}{% Ahlswede:1999:CMSa,% Alagona:1991:FFP,% Aleman:1991:NSE,% Anders:1993:OAL,% Bachs:1994:OSC,% Barone:1997:DVF,% Cannon:1993:AFF,% Freindorf:1996:OLJ,% Gough:1992:DFH,% Halgren:1996:MMFb,% Hill:1997:UTP,% Huige:1995:FFP,% Hunger:1999:OAF,% Kolb:1993:MPH,% Kontoyianni:1992:IMMa,% Liwo:1997:URFa,% Maxwell:1995:CSR,% Mikkelsen:1999:SEN,% Norrby:1995:UCD,% Randic:1991:COP,% Reiling:1996:FFP,% Severance:1995:GAS,% Sizova:1995:IPE,% Smith:1999:SPA,% Stewart:1991:OPS,% Stouch:1991:SLC,% Sun:1995:HSM,% Veenstra:1992:HTH,% Waldman:1993:NCR,% Yin:1998:CIS,% Dauchez:1995:VMF,% Patchkovskii:1999:NCS% }. \NAMECITE{Parametrization}{% Daura:1998:PAC,% Fernandez:1994:PFF,% Hernandez:1999:PGS,% Ott:1996:PGF,% Shiratori:1991:PCB,% Kantola:1991:ABP,% Luque:1996:EMS,% Norinder:1998:DAA,% Orozco:1993:ISB,% Fernandez:1991:MMM% }. \NAMECITE{Part}{% Davidson:1997:BRB,% Dyall:1998:RRE,% Vazquez:1991:MMS% }. \NAMECITE{Partial}{% Gruschus:1990:PCM,% Head:1990:POL,% Shen:1990:PEC,% Bakowies:1996:STE,% Carlson:1993:AFE,% Park:1993:DNA,% Park:1995:DNA,% Salzner:1990:NSP,% Westbrook:1992:MEP% }. \NAMECITE{particle}{% Hill:1997:UTP,% Lin:1994:FES% }. \NAMECITE{particles}{% Li:1998:CSU% }. \NAMECITE{particular}{% Yiu:1997:CIM% }. \NAMECITE{partition}{% Bodor:1991:PPC,% Klopman:1991:CAS,% Truhlar:1991:SAV% }. \NAMECITE{Partitioning}{% Dauber-Osguthorpe:1993:PMM% }. \NAMECITE{passing}{% Vincent:1995:HPP% }. \NAMECITE{Path}{% Morales:1993:PIT,% Morales:1995:PIM,% Bauld:1990:TRP,% Domotor:1996:TPA,% Mezei:1992:PPC,% Peyman:1992:MRP% }. \NAMECITE{paths}{% Harris:1999:PAK,% Zheng:1997:TSI% }. \NAMECITE{pathway}{% Valdes-Perez:1994:AIS,% Zeigarnik:1998:SPP% }. \NAMECITE{Pathways}{% Sygula:1992:PRI,% Alsberg:1996:UMM,% Saunders:1991:SCN,% Valdes-Perez:1992:AGR% }. \NAMECITE{pattern}{% Cosse-Barbi:1997:DPR,% Marchese:1990:CNB,% Soo:1993:DCP% }. \NAMECITE{{Pauli}}{% Chang:1992:PRO% }. \NAMECITE{Pb}{% Jonas:1992:TSOb,% Stewart:1991:OPS% }. \NAMECITE{{PC}}{% Rogers:1990:CCU,% Rogers:1994:CCU,% Rogers:2003:CCU% }. \NAMECITE{{PCs}}{% Tirado-Rives:1996:VMM% }. \NAMECITE{peak}{% Catasti:1990:PES% }. \NAMECITE{{PEFF}}{% Dillen:1992:PPD% }. \NAMECITE{{Penning}}{% Chen:1998:PSP% }. \NAMECITE{penta}{% Tiraboschi:1999:JQC% }. \NAMECITE{penta-}{% Tiraboschi:1999:JQC% }. \NAMECITE{pentagon}{% Aihara:1996:FTI% }. \NAMECITE{pentahalides}{% Breidung:1992:SIS% }. \NAMECITE{{pentanes}}{% Giribet:1998:CSB% }. \NAMECITE{{Pentium}}{% Tirado-Rives:1996:VMM% }. \NAMECITE{{Pentium}-based}{% Tirado-Rives:1996:VMM% }. \NAMECITE{pentyne}{% Crowder:1991:CSM% }. \NAMECITE{{peptidase}}{% Boyd:1991:MSD% }. \NAMECITE{Peptide}{% Gulukota:1996:PDU,% Perczel:1996:PMX,% Baginki:1993:EGP,% Bartels:1997:MAU,% Becker:1997:RPP,% Buhl:1999:TSV,% David:1994:XPE,% Gilliom:1990:MMS,% Hansmann:1993:PPC,% Herrmann:1995:EMP,% Jin:1997:DNG,% Kinoshita:1998:CSF,% Klepeis:1999:PPS,% Maxwell:1995:CSR,% Parker:1999:RBP,% Pascutti:1999:PEP,% Roux:1995:PEF,% Senderowitz:1998:SPE,% Wang:1997:PPC% }. \NAMECITE{peptides}{% Alex:1992:MSE,% Augspurger:1996:EDH,% Barone:1997:DVF,% Baysal:1999:ESA,% Baysal:1999:PEM,% David:1993:SSC,% David:1994:HPU,% Gibson:1990:DPF,% Gibson:1990:VSM,% Hermans:1992:PFE,% Klepeis:1999:CSG,% Maple:1998:DCI,% Meirovitch:1997:EMC,% Nakajima:1996:REM,% Sokalski:1993:MCA% }. \NAMECITE{{Pepto}}{% Catasti:1990:PES% }. \NAMECITE{Performance}{% Baysal:1999:PEM,% Delfini:1996:PAD,% Hobza:1997:PEP,% Shimada:1994:PFM,% VonArnim:1998:PPT,% Foster:1996:THP,% Gordon:1998:RPE,% Halgren:1996:MMFa,% Harrison:1996:THP,% Higo:1994:AHP,% Rega:1999:IPP,% Ballestrero:1996:MDP% }. \NAMECITE{pericyclic}{% Olivella:1991:HPH% }. \NAMECITE{period}{% Laidig:1996:ORA% }. \NAMECITE{periodic}{% Shimada:1993:ECC% }. \NAMECITE{periods}{% El-Nahas:1994:SSE% }. \NAMECITE{peroxides}{% Benassi:1993:CPH,% Chen:1993:MMS% }. \NAMECITE{peroxyl}{% Aplincourt:1999:SIS% }. \NAMECITE{perpendicular}{% Dinur:1991:AMP% }. \NAMECITE{perturbation}{% Chipot:1996:AAP,% Cummins:1998:MDF,% Debolt:1994:FEP,% Erion:1995:CRF,% Ferguson:1992:FEP,% Halasz:1999:CBS,% Hansen:1990:FEP,% Klopper:1997:SRI,% Mitchell:1990:NNH,% Nielsen:1995:PDI,% Rao:1994:RSP,% Reddy:1999:CRS,% Wunz:1992:NFE,% Zakrzewski:1993:VAG% }. \NAMECITE{perturbations}{% Henchman:1999:FEH,% Severance:1995:GAS% }. \NAMECITE{Perturbative}{% Lukes:1999:PFD,% Evans:1998:OEP% }. \NAMECITE{perturbed}{% Dagher:1995:TDP% }. \NAMECITE{{PES}}{% Matyska:1994:DCS% }. \NAMECITE{{PESP}}{% Marynick:1998:AME% }. \NAMECITE{{PF}}{% Cai:1994:ISL% }. \NAMECITE{{PH}}{% Glaser:1990:PPC,% Magnusson:1995:EBM% }. \NAMECITE{pharmacophores}{% Sawyer:1996:SCS% }. \NAMECITE{phase}{% Anglada:1999:PATb,% Burk:1996:SNB,% Frau:1993:TCL,% Habibollahzadeh:1995:NDF,% Masamura:1999:IMO,% Masgrau:1999:ECF,% Menendez:1995:TSG,% Szafran:1991:PSP,% Urban:1993:CDE,% Varnek:1998:VWH,% Ventura:1992:AGP,% Voets:1990:TSP,% Wiberg:1996:SEC% }. \NAMECITE{phases}{% Dappen:1990:CCA,% Taga:1995:MCS% }. \NAMECITE{{PHC}}{% Fausto:1992:CAC% }. \NAMECITE{phenol}{% Feller:1993:ISH% }. \NAMECITE{phenolate}{% Voets:1990:TSP% }. \NAMECITE{phenols}{% Karaman:1990:CAS% }. \NAMECITE{phenotype}{% Hartke:1999:GCG% }. \NAMECITE{phenyl}{% Kendrick:1992:IMM,% Leach:1995:MDS,% Walker:1995:ASG% }. \NAMECITE{Phenylene}{% Wu:1996:PVO% }. \NAMECITE{phenylimidazole}{% Harris:1996:CSF% }. \NAMECITE{phenylnitrene}{% Castell:1996:RSS% }. \NAMECITE{phosphaacetylene}{% Nyulaszi:1997:RCR% }. \NAMECITE{phosphaethene}{% Salzner:1997:IID% }. \NAMECITE{phosphatidylcholine}{% Chiu:1999:ACM% }. \NAMECITE{phosphatidylcholines}{% Li:1996:MMS% }. \NAMECITE{phosphatriafulvene}{% Schoeller:1993:RBP% }. \NAMECITE{phosphine}{% Liang:1996:PAR% }. \NAMECITE{phosphole}{% Salzner:1997:IID% }. \NAMECITE{phospholipase}{% Shiratori:1991:PCB% }. \NAMECITE{phospholipid}{% Charifson:1990:CMM,% Charifson:1991:FEC,% Smondyrev:1999:UAF% }. \NAMECITE{phosphoranes}{% Glaser:1990:PPC,% Wang:1993:ICP% }. \NAMECITE{phosphorothionate}{% Katagi:1993:MPS% }. \NAMECITE{phosphorus}{% Leonard:1990:MMP,% Park:1995:DNA,% Wang:1993:ICP% }. \NAMECITE{phosphorus-containing}{% Park:1995:DNA% }. \NAMECITE{phosphorylcholine}{% Schaumberger:1992:CDP% }. \NAMECITE{Photoelectron}{% Chen:1998:PSP,% Musolino:1990:ESP% }. \NAMECITE{photolysis}{% Ning:1999:MDS% }. \NAMECITE{photooxidation}{% Liwo:1997:MSS% }. \NAMECITE{photoreaction}{% Gerwens:1995:SSP% }. \NAMECITE{phthalimide}{% Kendrick:1992:IMM,% Ramos:1990:ESH% }. \NAMECITE{phylogenetic}{% Reijmers:1999:QCG% }. \NAMECITE{physical}{% Grigoras:1990:SAC% }. \NAMECITE{pinene}{% Black:1996:EBP% }. \NAMECITE{{Pipek}}{% Boughton:1993:CBP% }. \NAMECITE{piperidines}{% Carballeira:1998:ICL% }. \NAMECITE{{Pitfalls}}{% Jaime:1990:MCM% }. \NAMECITE{{PK}}{% Yahiro:1992:VPAb% }. \NAMECITE{planar}{% Dinur:1991:AMP,% Dinur:1991:FRA% }. \NAMECITE{plane}{% Lee:1999:NPA,% Miller:1990:FSD,% Parker:1999:RBP,% Tuzun:1997:ETP% }. \NAMECITE{plasticities}{% Comba:1999:CCS% }. \NAMECITE{platinum}{% Kozelka:1993:FFP% }. \NAMECITE{plausibility}{% Valdes-Perez:1993:ATS% }. \NAMECITE{Plenum}{% Christiansen:1990:BRB% }. \NAMECITE{{Plesset}}{% Klobukowski:1993:ISM,% Rauhut:1998:ITL,% Beachy:1998:PPE% }. \NAMECITE{{PLOR}}{% David:1993:SSC% }. \NAMECITE{{PLORing}}{% David:1994:XPE% }. \NAMECITE{plots}{% Beckers:1998:MAD% }. \NAMECITE{PM3}{% Janoschek:1994:CRO,% Stewart:1990:RCC,% Aleman:1993:SPD,% Anders:1993:OAL,% Baumann:1999:PGO,% Beck:1994:NAO,% Cramer:1992:PSG,% Csonka:1993:ACR,% Dewar:1990:CCA,% Fabian:1991:TEH,% Furuki:1995:ARF,% Gano:1991:EPA,% Gundertofte:1991:CCE,% Hobza:1997:PEP,% Jurema:1993:APQ,% Jurema:1993:MMW,% Karaman:1990:CAS,% Karaman:1991:CST,% Katagi:1993:MPS,% Martin:1991:CCM,% Orozco:1995:DOM,% Smith:1992:SSA,% Stewart:1991:OPS,% Szafran:1991:PSP% }. \NAMECITE{{PM3}-derived}{% Aleman:1993:SPD% }. \NAMECITE{{PM3-SM3}}{% Cramer:1992:PSG% }. \NAMECITE{{PNP}}{% Kolossvary:1999:LMC% }. \NAMECITE{point}{% Beck:1994:NAO,% Earl:1990:ADI,% Fajardo:1997:MCS,% Gorse:1994:UFP,% Hati:1992:EBB,% Kovalenko:1999:STD,% Mizan:1996:CRF,% Rauhut:1993:MPC,% Sousa:1993:MFO,% Spackman:1996:PDC% }. \NAMECITE{points}{% Anglada:1997:RRQ,% Anglada:1998:HGB,% Quapp:1998:SSP,% Rubio:1993:MSP,% You:1995:AAR% }. \NAMECITE{{Poisson}}{% Augspurger:1997:AAR,% Bruccoleri:1993:GPI,% Bruccoleri:1997:FDP,% Cortis:1997:ATD,% Cortis:1997:NSP,% David:1997:BSA,% Davis:1991:DBS,% Harris:1996:CSF,% Holst:1993:MSP,% Holst:1995:NSN,% Luty:1992:SFD,% Nicholls:1991:RFD,% Rashin:1991:NMC,% Sharp:1991:ISI,% Shen:1995:CBE,% Shen:1996:EBE,% Smart:1997:CSP,% Tomac:1998:MMS,% Zhexin:1995:SFD,% Zhou:1996:FDS% }. \NAMECITE{{Polanyi}}{% Anglada:1999:PATa,% Anglada:1999:PATb% }. \NAMECITE{polar}{% Ferenczy:1998:QMM,% Perez:1992:MCS% }. \NAMECITE{{POLARIS}}{% Lee:1993:MSC% }. \NAMECITE{polarity}{% Huzinaga:1993:EDP% }. \NAMECITE{polarizabilities}{% Raptis:1998:SFD% }. \NAMECITE{polarizability}{% Ayma:1997:ICD,% Bursi:1995:UHF,% Giribet:1998:CSB% }. \NAMECITE{polarizable}{% Barone:1998:GOM,% Bernardo:1995:EPP,% Coitino:1995:ESP,% Gao:1997:ECA,% Heard:1996:HSP,% Mineva:1998:SER,% Pomelli:1999:EGM,% Rega:1999:IPP,% Tiraboschi:1999:JQC,% delValle:1992:CSE% }. \NAMECITE{Polarization}{% Luque:1998:PEG,% Pascutti:1999:PEP,% Carballeira:1990:DAM,% Coitino:1995:ESP,% Cossi:1998:CCI,% Dewar:1990:VPC,% Winn:1999:TIF% }. \NAMECITE{polaronic}{% Rao:1991:PRI% }. \NAMECITE{Poling}{% Smellie:1995:PPC% }. \NAMECITE{{POLTEV}}{% Hobza:1997:PEP% }. \NAMECITE{poly}{% Baumann:1999:PGO,% Depner:1992:MDS,% Gresh:1995:MPL,% Schmitz:1994:CSA% }. \NAMECITE{poly-ligated}{% Gresh:1995:MPL% }. \NAMECITE{poly/oligoazine}{% Schmitz:1994:CSA% }. \NAMECITE{polyacenes}{% Cioslowski:1993:BPF% }. \NAMECITE{polyatomic}{% Forst:1996:SDS,% Han:1998:SOE,% Lee:1992:KRH% }. \NAMECITE{polybenzenoid}{% Pointet:1997:PAP% }. \NAMECITE{polycyclic}{% Weiser:1997:HCS% }. \NAMECITE{polyelectrolyte}{% Fenley:1996:FAM% }. \NAMECITE{polyelectrolytes}{% Rashin:1991:NMC% }. \NAMECITE{polyesters}{% Sun:1994:FFC% }. \NAMECITE{polyethylene}{% Duan:1999:LES% }. \NAMECITE{polyglycolic}{% Pratt:1993:HDS% }. \NAMECITE{polygonal}{% Harris:1999:PAK% }. \NAMECITE{polyhedra}{% Liu:1991:GCC% }. \NAMECITE{polyhex}{% Muller:1990:EGP% }. \NAMECITE{polymer}{% Knapp:1992:LTD,% Lemak:1996:MDS,% Roussel:1995:DDP% }. \NAMECITE{polymers}{% Mazur:1997:QHE,% Noid:1990:MDS,% Palmer:1994:NIP,% Salzner:1997:DLB,% Zivkovic:1995:AAV% }. \NAMECITE{polymorphs}{% Eichler:1997:CIT,% Payne:1999:PPA% }. \NAMECITE{Polynomial}{% Mezei:1992:PPC,% Augspurger:1990:COE,% Balasubramanian:1991:CCP,% Wedemeyer:1999:EAL,% Zivkovic:1990:ECP% }. \NAMECITE{polynomials}{% Balasubramanian:1990:CGD,% Venuvanalingam:1991:PAC% }. \NAMECITE{polyparaphenylene}{% Palmer:1994:NIP% }. \NAMECITE{polypeptide}{% Gibson:1994:APR,% Gibson:1994:REA,% Pappu:1996:EMR% }. \NAMECITE{polypeptides}{% Cheng:1996:SST,% Gibson:1997:EMR,% Kitao:1991:CDP,% Klein:1998:SSV,% Lee:1997:NOM,% Lii:1991:MFF,% Nayeem:1991:CSS,% Price:1991:TAT,% Soo:1993:DCP,% Sternberg:1994:NAS,% vonFreyberg:1991:ESA% }. \NAMECITE{polysaccharide}{% Pratt:1994:CSH% }. \NAMECITE{polysaccharides}{% Ferro:1997:IFF,% Glennon:1994:FFM% }. \NAMECITE{polythiophene}{% Ramirez:1994:TSQ% }. \NAMECITE{popular}{% Glukhovtsev:1993:THM% }. \NAMECITE{population}{% Tasi:1992:RMA,% Torre:1999:NNB% }. \NAMECITE{populations}{% Agrafiotis:1990:PNP,% Glaser:1998:AES% }. \NAMECITE{Portable}{% Covick:1996:PPT,% Vincent:1995:HPP% }. \NAMECITE{portrait}{% Bowen:1998:PCL% }. \NAMECITE{position}{% Mezei:1997:OPS% }. \NAMECITE{positioning}{% Bruccoleri:1993:GPI% }. \NAMECITE{positions}{% Zhu:1996:IIC% }. \NAMECITE{positively}{% McGaughey:1995:IMM,% McGaughey:1996:IMM,% Rabinowitz:1998:IBC% }. \NAMECITE{possible}{% Bliznyuk:1999:SML,% Holden:1993:PPC,% Karfunkel:1992:IPP,% Pepper:1995:SMP,% Stegmann:1996:SPT% }. \NAMECITE{post}{% Tolosa:1991:CSP,% Csonka:1994:SDS,% Kieninger:1996:CEP,% Nguyen:1997:DFS,% Schmiedekamp:1994:TPA% }. \NAMECITE{{Post-Hartree}}{% Csonka:1994:SDS,% Kieninger:1996:CEP,% Nguyen:1997:DFS,% Schmiedekamp:1994:TPA% }. \NAMECITE{post-{SCF}}{% Tolosa:1991:CSP% }. \NAMECITE{posteriori}{% Valiron:1993:CPP% }. \NAMECITE{potent}{% Cohen:1995:LQE,% Froimowitz:1993:CAC,% Murcko:1997:CAH% }. \NAMECITE{Potential}{% Biemolt:1994:PES,% Fukunishi:1997:PMF,% Payne:1999:PPA,% Roux:1995:PEF,% Spackman:1996:PDC,% Anglada:1997:RRQ,% Arteca:1991:TAM,% Augspurger:1996:EDH,% Augspurger:1997:AAR,% Barclay:1991:MCP,% Battaglia:1993:FRC,% Beck:1997:VNF,% Becker:1998:PCM,% Bock:1992:EIR,% Bonati:1992:MEP,% Briggs:1990:MCS,% Bush:1999:CBC,% Chipot:1996:AAP,% Chung-Phillips:1990:SIR,% Cieplak:1991:UEP,% Cordeiro:1993:ICW,% Cruz:1997:GST,% Dagher:1993:GMA,% Dagher:1995:TDP,% Du:1996:DFS,% Dykstra:1997:QMC,% Eichler:1997:CIT,% Essex:1995:EBP,% Farazdel:1991:DMC,% Ferenczy:1990:SAE,% Ferenczy:1998:QMM,% Ferguson:1992:FEP,% Field:1990:CQM,% Fortunelli:1991:SRP,% Fraschini:1998:HMP,% Freindorf:1996:OLJ,% Gabdoulline:1995:ECC,% Gibson:1990:DPF,% Giordan:1997:BSM,% Gorse:1994:UFP,% Hanebeck:1993:REC,% Hardy:1994:CSH,% Henchman:1999:FEH,% Henchman:1999:GOL,% Hermida-Ramon:1998:TSI,% Hinsen:1997:PFC,% Hobza:1991:ILA,% Ibrahim:1992:VII,% Imberty:1990:RPE,% Janak:1992:PCPa,% Jemmer:1998:SAF,% Jensen:1994:TSM,% Jorgensen:1993:MCSa,% Jorgensen:1993:MCSb,% Kikuchi:1999:SPF,% Lee:1999:NPA,% Lii:1999:ISP,% Liu:1994:CMM,% Luque:1990:CSM,% Luque:1998:PEG,% Malhotra:1994:USD,% Marynick:1997:AMEa,% Marynick:1998:AME,% Merz:1992:ALD,% Mitchell:1999:BPMa,% Mitchell:1999:BPMb,% Mitin:1998:CRE,% Musolino:1990:ESP,% Nakajima:1996:REM,% Orozco:1993:MIP,% Pacchioni:1997:IMP,% Papadakis:1997:CLS,% Perczel:1996:PMX,% Quapp:1998:SSP,% Rabinowitz:1998:IBC,% Ritchie:1995:CPD,% Rodriguez:1993:QCM,% Rubio:1993:MSP,% Salazar:1998:GMT,% Senderowitz:1998:SPE,% Seponer:1996:BSC,% Sierraalta:1994:CSE,% Sigfridsson:1998:CMD,% Smeyers:1998:EPE,% St-Amant:1995:CMG,% Stanton:1990:EAN,% Stanton:1995:EDF,% Stouch:1991:SLC,% Stouch:1992:CDE,% Stouch:1993:CDE,% Su:1993:NMD,% Tatewaki:1996:ASR,% Urban:1993:CDE,% Waller:1993:TIP,% Williams:1994:FNA,% Wright:1991:BFC% }. \NAMECITE{potential}{% Zauhar:1990:CEP,% Zhexin:1995:CEP,% Zhu:1996:IIC,% Dorigo:1994:SLN% }. \NAMECITE{potential-derived}{% Beck:1997:VNF,% Marynick:1998:AME,% Ritchie:1995:CPD,% Stouch:1993:CDE,% Urban:1993:CDE% }. \NAMECITE{potentials}{% Aleman:1993:SPD,% Alhambra:1994:CNQ,% Alkorta:1993:CSB,% Alvarez-Collado:1994:NCF,% Badertscher:1990:CAP,% Bakowies:1996:STE,% Beck:1994:NAO,% Behnejad:1995:ELC,% Bekker:1995:FVT,% Bernardo:1995:EPP,% Breneman:1990:DAC,% Chen:1997:FES,% Davis:1990:CEF,% Dinur:1990:NDT,% Dufner:1997:ESV,% Earley:1993:UEC,% Ferenczy:1990:SAE,% Ford:1993:NAR,% Francl:1996:CFE,% Gano:1991:EPA,% Hernandez:1999:ICG,% 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\NAMECITE{practice}{% Wheatley:1994:GMP% }. \NAMECITE{{PRDDO}}{% Marynick:1997:AMEa,% Marynick:1997:AMEb,% Marynick:1998:AME% }. \NAMECITE{{PRDDO/M}}{% Marynick:1997:AMEa,% Marynick:1997:AMEb,% Marynick:1998:AME% }. \NAMECITE{precise}{% Mitchell:1991:FED% }. \NAMECITE{Precision}{% Hermans:1992:PFE,% Flores:1994:HPA,% Stradella:1993:TCS% }. \NAMECITE{Preconditioners}{% Glunt:1994:PDM% }. \NAMECITE{predict}{% Varnek:1998:VWH% }. \NAMECITE{predicted}{% Alikhani:1998:DPS% }. \NAMECITE{Predicting}{% Baker:1998:PVS,% Bodor:1991:PPC,% Klepeis:1999:PPS,% Viswanadhan:1993:AMU% }. \NAMECITE{Prediction}{% Anglada:1999:PATa,% Anglada:1999:PATb,% Hansmann:1993:PPC,% Holden:1993:PPC,% Wang:1997:PPC,% Yoo:1995:PLE,% Abagyan:1994:INM,% Aerts:1995:IMM,% Campbell:1996:APH,% Dudek:1990:PSP,% Dudek:1998:PSP,% Fischer:1995:NOT,% Gastreich:1998:IPN,% Karfunkel:1992:IPP,% Kono:1996:NMS,% Martin:1991:CCM,% VanEijck:1997:FCE,% Zeigarnik:1998:SPP,% vanEijck:1999:UPP,% Leuwerink:1993:MDC% }. \NAMECITE{predictions}{% Eichler:1997:CIT,% Mooij:1998:CSP% }. \NAMECITE{predissociation}{% Buchachenko:1996:DAQ% }. \NAMECITE{preface}{% Schleyer:1998:EP% }. \NAMECITE{prefer}{% Schleyer:1992:DCP% }. \NAMECITE{preference}{% Rao:1994:RSP% }. \NAMECITE{preferences}{% Smith:1991:CPX,% Zheng:1992:CPH% }. \NAMECITE{preorganization}{% Maye:1991:HGP% }. \NAMECITE{Prescreening}{% Horn:1991:PTE% }. \NAMECITE{presence}{% York:1994:SSS% }. \NAMECITE{presentation}{% Boggs:1999:GPM,% Polavarapu:1993:CFC% }. \NAMECITE{Press}{% Christiansen:1990:BRB,% Dunitz:1990:BRB% }. \NAMECITE{pressure}{% Masgrau:1999:ECF,% Smondyrev:1999:UAF% }. \NAMECITE{pressures}{% Alvarez-Idaboy:1998:EMO% }. \NAMECITE{Price}{% Dunitz:1990:BRB,% Goldstein:1992:BRB,% Klopmand:1992:BRB,% Mezey:1991:BRB,% Randic:1992:BRB,% Varnali:1992:BRB% }. \NAMECITE{primitive}{% Baker:1998:PVS% }. \NAMECITE{Principal}{% Becker:1998:PCM,% Susnow:1994:PCA,% Suto:1991:PCA,% Susnow:1995:EPC% }. \NAMECITE{principle}{% Anglada:1999:PATa,% Anglada:1999:PATb% }. \NAMECITE{priori}{% Valiron:1993:CPP% }. \NAMECITE{prismane}{% Gleiter:1995:PPC% }. \NAMECITE{probability}{% Baginki:1993:TCC,% Cheng:1996:SST% }. \NAMECITE{probe}{% Rabinowitz:1998:IBC% }. \NAMECITE{probed}{% Engelsen:1995:IMC% }. \NAMECITE{Probing}{% Guida:1992:PCS,% Pearlman:1994:FED% }. \NAMECITE{problem}{% Carlacci:1996:LPP,% Cisneros:1993:ISO,% Danielewski:1996:GSI,% Flores:1992:LCI,% Hansmann:1993:PPC,% Hansmann:1997:NCT,% Huber:1999:PST,% Krissinel:1996:SSD,% Liu:1991:GIP,% Martin:1991:CCM,% Meza:1994:DSM,% Pearlman:1994:FED,% Reiling:1996:TIE,% Salzner:1997:DLB,% Wang:1991:GSM,% Zhou:1993:SLM,% Zhou:1994:SLM% }. \NAMECITE{problems}{% Blanco:1991:MSG,% Cammi:1995:RUA,% Mestres:1995:GAR% }. \NAMECITE{procedure}{% Forner:1992:DSD,% Lehd:1991:GPO,% Li:1998:CSU,% Pomelli:1998:DNP,% Pomelli:1999:EGM,% Stouch:1993:CDE% }. \NAMECITE{procedures}{% Cammi:1995:RUA,% Meirovitch:1997:EMC,% Shepard:1990:DCM,% Wiberg:1993:CAC% }. \NAMECITE{process}{% Endo:1996:NIM% }. 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Perrot:1992:MPR,% Pla:1991:OMP,% Procacci:1997:OMD,% Rico:1998:RPM,% Shirsat:1993:DRH,% Straatsma:1990:AVG,% Tan:1993:YDM,% Weiser:1997:HCS,% vanEijck:1999:UPP,% Baumann:1999:PGO,% Bernardo:1995:EPP,% Duncan:1998:TPI% }. \NAMECITE{programming}{% Gulukota:1996:PDU,% Noid:1990:MDS,% Tan:1993:YDM% }. \NAMECITE{programs}{% Lee:1993:MSC% }. \NAMECITE{progress}{% Schreckenbach:1999:DFC% }. \NAMECITE{projected}{% Agrafiotis:1990:PNP,% Olivella:1991:HPH% }. \NAMECITE{Projection}{% Lu:1991:POM,% Apostol:1999:IMP,% Glaser:1997:EEC,% Grafton:1998:VPA,% Stahl:1999:MPA% }. \NAMECITE{Promoting}{% Smellie:1995:PPC% }. \NAMECITE{Propella}{% Gleiter:1995:PPC% }. \NAMECITE{propenal}{% Fores:1999:CCS% }. \NAMECITE{propene}{% Alvarez-Idaboy:1998:EMO% }. \NAMECITE{proper}{% Krishna:1990:PDC,% Lii:1999:ISP% }. \NAMECITE{properties}{% Alikhani:1998:DPS,% Arteca:1991:VAR,% Baginki:1993:TCC,% Benassi:1993:CPH,% Cioslowski:1993:BPF,% Domotor:1996:TPA,% Du:1996:DFS,% Galiatsatos:1990:EFL,% Gilardoni:1999:CGE,% Giordan:1996:PAN,% Grana:1999:ABP,% Grigoras:1990:SAC,% Karna:1991:FDN,% Kieninger:1996:CEP,% Kurtz:1990:CNO,% Kutzelnigg:1999:RCM,% Lenz:1990:FFC,% Maerker:1997:CAE,% Meier:1992:ICM,% Nobeli:1997:HBP,% Pacios:1995:ARS,% Pappu:1996:EMR,% Reis:1999:NOP,% Scheiner:1997:MEP,% Sierraalta:1994:CSE,% Sokalski:1992:CAM,% Soliva:1997:SDF,% Takashima:1999:LSI,% Tolosa:1991:CSP,% Urbina-Villalba:1992:SSE,% Welsh:1990:AMO,% delValle:1992:CSE% }. \NAMECITE{property}{% Bour:1997:TMP,% Breneman:1997:QAH,% Dixon:1992:ACC,% Dykstra:1997:QMC,% Randic:1991:COP,% Santamaria:1994:SEP% }. \NAMECITE{property-based}{% Dykstra:1997:QMC% }. \NAMECITE{proposed}{% Hansmann:1997:NCT,% Lagant:1991:UUR,% Rao:1991:PRI,% Valdes-Perez:1993:ATS% }. \NAMECITE{propyl}{% Ivanov:1991:MMM% }. \NAMECITE{protease}{% Murcko:1993:CAH,% Murcko:1997:CAH,% York:1994:SSS,% Young:1997:BMC% }. \NAMECITE{Protein}{% Dudek:1990:PSP,% Dudek:1998:PSP,% Huber:1999:PST,% Janak:1992:PCPa,% Janak:1992:PCPb,% Abagyan:1994:INM,% Baldridge:1994:ESS,% Becker:1997:RPP,% Beroza:1996:CAA,% Bliznyuk:1999:SML,% Boyd:1991:MSD,% Buturovic:1994:FSR,% Campbell:1996:APH,% Gilliom:1990:MMS,% Godden:1999:SAC,% Goodfellow:1990:UPP,% Guenot:1993:CEE,% Gunn:1996:PIP,% Hansmann:1997:NCT,% Higo:1994:STD,% Janezic:1995:HALa,% Kikuchi:1999:SPF,% Knapp:1992:LTD,% Knapp:1993:LMC,% Komeiji:1997:FAM,% Liwo:1997:URFa,% Liwo:1997:URFb,% Liwo:1998:URF,% Milik:1997:ARR,% Mitchell:1999:BPMa,% Mitchell:1999:BPMb,% Nonella:1997:ECD,% Rey:1992:EAR,% Snow:1992:PSA,% Sunada:1995:SAP,% Trosset:1999:PSP,% Tuffery:1993:CCS,% VanAalten:1997:CTC,% Wang:1991:GSM,% Xu:1992:IPD,% Yoon:1995:DCT,% Yoshioki:1994:IDG,% Yoshioki:1996:IDG,% Zhexin:1995:IPD,% Charifson:1991:FEC% }. \NAMECITE{protein-{DNA}}{% Campbell:1996:APH% }. \NAMECITE{protein-folding}{% Snow:1992:PSA% }. \NAMECITE{protein-structure}{% Liwo:1997:URFa,% Liwo:1997:URFb,% Liwo:1998:URF% }. \NAMECITE{proteinase}{% Rao:1994:RSP,% Stahl:1999:MPA% }. \NAMECITE{proteins}{% Antosiewicz:1996:CIS,% Apostol:1999:IMP,% Augspurger:1996:EDH,% Ballestrero:1996:MDP,% Barone:1997:DVF,% Baysal:1999:PEM,% Carlacci:1991:NDE,% Carlacci:1996:LPP,% Catasti:1990:PES,% Cheng:1996:SST,% Cieplak:1995:AMM,% DiNola:1998:FEC,% Dudek:1995:AMI,% Gibrat:1994:NMA,% Godzik:1993:LRG,% Gregory:1991:SEF,% Grubmuller:1998:MTS,% Judson:1995:DFM,% Juffer:1996:APC,% Kikuchi:1996:ICA,% Kikuchi:1999:SPF,% Kitao:1991:CDP,% Kitchen:1990:CED,% Lee:1993:MSC,% Lii:1991:MFF,% Nakajima:1996:REM,% Palmer:1992:SGC,% Pitt:1993:AKB,% Shiratori:1991:PCB,% VonFreyberg:1993:MEE,% Wedemeyer:1999:EAL% }. \NAMECITE{protocols}{% Reddy:1998:SFE% }. \NAMECITE{Proton}{% Pointet:1997:PAP,% Adamo:1997:CBS,% Barone:1994:MIP,% Cavasotto:1991:EEE,% Cuma:1998:ENA,% FloriaN:1994:VAC,% Fores:1999:CCS,% Hinsen:1997:PFC,% Kabir:1991:ISP,% Li:1998:IEP,% Roszak:1990:MCC,% Schmiedekamp:1994:TPA,% Sharafeddin:1997:MQC,% Szafran:1991:PSP,% Voets:1990:TSP,% Greatbanks:1997:CEC% }. \NAMECITE{proton-transfer}{% Li:1998:IEP% }. \NAMECITE{protonated}{% Liang:1997:ICM,% Norris:1993:TSP,% Zhang:1998:CGP% }. \NAMECITE{Protonation}{% Harris:1998:PEF,% Russo:1998:PTC,% Welsh:1990:AMO% }. \NAMECITE{prototypes}{% Gonzalez:1997:HLI% }. \NAMECITE{proximity}{% Smith:1993:CRP% }. \NAMECITE{prudent}{% Hooft:1991:IUM% }. \NAMECITE{ps}{% Sun:1999:PMD,% Mainz:1997:EPG% }. \NAMECITE{{PS-GVB}}{% Mainz:1997:EPG% }. \NAMECITE{pseudo}{% Roussel:1995:DDP% }. \NAMECITE{pseudo-diatomic}{% Roussel:1995:DDP% }. \NAMECITE{pseudodiagonalization}{% Wolinski:1997:MPC% }. \NAMECITE{Pseudopotential}{% Kaupp:1990:PCM,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Smart:1995:ESS,% Vyboishchikov:1997:TAE% }. \NAMECITE{pseudopotentials}{% Sousa:1992:RAN% }. \NAMECITE{pseudospectral}{% Beachy:1998:PPE,% Chasman:1998:PPE,% Kennedy:1999:USH% }. \NAMECITE{psicose}{% French:1994:ARF% }. \NAMECITE{Pte}{% Davidson:1997:BRB% }. \NAMECITE{Pu}{% Schreckenbach:1999:DFC% }. \NAMECITE{publication}{% Boggs:1999:GPM,% Raber:1999:GPR% }. \NAMECITE{Publisher}{% Randic:1992:BRB% }. 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Giordan:1996:PAN,% Giordan:1998:PAN% }. \NAMECITE{pyruvate}{% Norris:1993:TSP% }. \NAMECITE{pyruvic}{% Norris:1993:TSP% }. \NAMECITE{{QCFF}}{% Kar:1994:TMM% }. \NAMECITE{QM}{% Cummins:1997:CSM,% Cummins:1999:CSQ,% Gao:1997:ECA,% Luque:1998:PEG,% Philipp:1999:MIQ% }. \NAMECITE{QM/MM}{% Cummins:1997:CSM,% Cummins:1999:CSQ,% Gao:1997:ECA,% Luque:1998:PEG,% Philipp:1999:MIQ% }. \NAMECITE{{QSAR}}{% Agarwal:1993:DQI,% Amat:1998:MQS,% Crippen:1999:VQV,% Ramos:1990:ESH% }. \NAMECITE{{QSPR}}{% Breneman:1997:QAH% }. \NAMECITE{quadratic}{% Ramirez:1994:TSQ% }. \NAMECITE{quadrupole}{% Dinur:1991:FRA,% Eggenberger:1993:UMD% }. \NAMECITE{qualitative}{% Radmer:1997:FEC% }. \NAMECITE{Quality}{% Komatsu:1996:QCF,% Reijmers:1999:QCG,% Bock:1990:EBS,% Rauhut:1993:MPC% }. \NAMECITE{{QUANTA{\reg}}}{% Momany:1992:VGP% }. \NAMECITE{Quantification}{% White:1993:QSL% }. \NAMECITE{Quantitative}{% Richard:1991:QCM,% Rodriguez:1993:QCM,% Cioslowski:1996:EAQ,% Cohen:1995:LQE,% Dixon:1992:ACC,% Dufner:1997:ESV,% Klopman:1994:AMC,% Marchese:1990:CNB% }. \NAMECITE{quantitatively}{% Grafton:1998:VPA% }. \NAMECITE{Quantum}{% Amat:1997:QSM,% Dykstra:1997:QMC,% El-Nahas:1998:QCS,% Ferenczy:1998:QMM,% Rocha:1997:QMM,% Thery:1994:QMC,% Aleman:1991:NSE,% Amat:1998:MQS,% Amat:1999:FED,% Augspurger:1990:GQM,% Bakowies:1996:STE,% Baldridge:1994:ESS,% Berweger:1997:FEI,% Buchachenko:1996:DAQ,% Cesco:1999:IAB,% Chesnut:1995:CQM,% Cummins:1998:MDF,% Cummins:1999:CSQ,% DeVries:1995:IRFa,% DeVries:1995:IRFb,% Erion:1995:CRF,% Field:1990:CQM,% Freindorf:1996:OLJ,% Gaedt:1998:CVF,% Harrison:1999:IQM,% Hobza:1997:PEP,% Jensen:1998:IQC,% Jurema:1993:APQ,% Jurema:1993:MMW,% Kindermann:1992:PQM,% Lensink:1996:SIM,% Lensink:1999:SSR,% Lii:1999:ISP,% Liu:1994:CMM,% Luzhkov:1992:MMQ,% Maple:1994:DCI,% Mestres:1994:CIQ,% Norrby:1998:AMM,% Pacchioni:1997:IMP,% Pan:1998:PID,% Pavankumar:1999:CIQ,% Pitarch:1999:MLI,% Sharafeddin:1997:MQC,% Sosa:1998:IQC,% Szafran:1993:RSE,% Tiraboschi:1999:JQC,% Toth:1993:MCS,% 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Aleman:1991:NSE,% Colominas:1999:MCM,% Eisenhaber:1993:ISA,% Huber:1999:PST% }. \NAMECITE{Strength}{% Arora:1997:SHB,% Clare:1994:ECB% }. \NAMECITE{stretching}{% Orozco:1993:ISB% }. \NAMECITE{stringent}{% Teleman:1990:SFO% }. \NAMECITE{strong}{% Grundler:1990:HMS% }. \NAMECITE{Structural}{% Alagona:1990:CSI,% Gregory:1991:SEF,% Leuwerink:1993:MDC,% Mohle:1997:SER,% Santamaria:1994:SEP,% Smith:1992:SSA,% Alikhani:1998:DPS,% Grigoras:1990:SAC,% Kearsley:1990:ASS,% Maerker:1997:CAE,% Nagase:1998:RAS,% Valdes-Perez:1993:ATS% }. \NAMECITE{Structure}{% Aplincourt:1999:SIS,% Csonka:1994:SDS,% Davidson:1997:BRB,% Gu:1998:SSB,% Abagyan:1994:INM,% Arnaud:1994:ISS,% Baboul:1998:CSN,% Beachy:1998:PPE,% Boggs:1999:GPM,% Chasman:1998:PPE,% Cheng:1996:SST,% Clare:1993:SEV,% Csonka:1996:SCI,% Delfini:1996:PAD,% Ding:1996:GZW,% Dixon:1992:ACC,% Dudek:1990:PSP,% Dudek:1998:PSP,% Dunn:1992:RSS,% Eichler:1997:CIT,% Fox:1993:ESE,% Gunn:1996:PIP,% Ihlenfeldt:1994:HCI,% Jensen:1994:TSM,% Jung:1996:MMC,% 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Gardner:1993:IMO,% Grimme:1994:MCS,% Halgren:1999:MVM,% Han:1997:IST,% Hinsen:1997:PFC,% Jonas:1992:TSOa,% Jonas:1992:TSOb,% Katagi:1990:TSA,% Khalil:1991:EIM,% Klobukowski:1993:ISM,% Konkoli:1997:DOV,% Krol:1990:AEI,% Lee:1990:TSI,% Lee:1995:IMO,% Li:1996:MMS,% Liang:1995:FFS,% Lii:1999:ISP,% Luque:1998:PEG,% Momany:1990:UCD,% Omalley:1999:HDF,% Richard:1991:QCM,% Shim:1998:MMSa,% Shim:1998:MMSb,% Smith:1992:SSA,% Stegmann:1996:SPT,% Stewart:1992:MMS,% Tai:1998:EIE,% Varnek:1998:VWH,% Veldkamp:1992:TSO,% Welsh:1990:AMO,% Welsh:1990:MMS,% Zeigarnik:1998:SPP,% Zheng:1997:TSI,% vonOnciul:1993:MOS,% Li:1994:EMD,% Stouch:1993:CDE% }. \NAMECITE{Study}{% Kikuchi:1999:SPF,% Sanchez:1997:SSE,% Zheng:1992:SHB,% Zhou:1993:SLM,% Zhou:1994:SLM,% Adamo:1997:CBS,% Al-Laham:1991:ISA,% Alagona:1990:CSI,% Alex:1992:MSE,% Alkorta:1993:CSB,% Arnaud:1994:ISS,% Baboul:1998:CSN,% Barone:1994:MIP,% Black:1996:EBP,% Boehm:1997:TSB,% Bohm:1990:DAC,% Breidung:1992:SIS,% Brewster:1991:RBI,% Bu:1999:ETR,% Buhl:1999:TSV,% Cai:1994:ISL,% Calvo-Losada:1998:RAI,% Chen:1993:MMS,% Chesnut:1995:CQM,% Chipot:1996:AAP,% Costas:1999:DFS,% Cruz:1997:GST,% Csonka:1994:IMO,% Csonka:1994:SDS,% Csonka:1996:SCI,% Csonka:1997:IDF,% Cummins:1990:MAB,% Cummins:1998:MDF,% Cundari:1998:CSM,% DelRio:1998:TSE,% Ding:1996:GZW,% Dinur:1990:NDT,% Dufner:1997:ESV,% Erion:1995:CRF,% Feller:1993:ISH,% Fernandez:1992:TSS,% Fores:1999:CCS,% Fourre:1999:ELF,% Freeman:1998:IMO,% Fukaya:1998:TSR,% Garcia-Cruz:1999:ISI,% Gerwens:1995:SSP,% Gilliom:1990:MMS,% Glaser:1990:PPC,% Gleiter:1995:PPC,% Goldstein:1993:ISG,% Goodfellow:1990:UPP,% Greatbanks:1997:CEC,% Griffith:1997:MMS,% Harris:1996:CSF,% Hermida-Ramon:1998:TSI,% Hernandez:1999:PGS,% Hertwig:1995:ADF,% Hlavacek:1991:MSC,% Hobza:1991:ILA,% Ibrahim:1992:VII,% Judson:1995:DFM,% Jursic:1996:DFG,% Jursic:1996:ISH,% Kabir:1991:ISP,% Kakkar:1991:URE,% Karna:1999:ICH,% Katagi:1990:ASA,% Katagi:1993:MPS,% Kaupp:1999:RTN,% Kendrick:1992:IMM,% Klepeis:1999:CSG,% 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Dunitz:1990:BRB,% Garst:1990:BRB,% Goldstein:1992:BRB,% Klopmand:1992:BRB,% Mezey:1991:BRB% }. \NAMECITE{Wilson}{% Christiansen:1990:BRB% }. \NAMECITE{within}{% Lein:1999:TDV,% Roszak:1990:MCC,% Valdes-Perez:1994:AIS% }. \NAMECITE{without}{% Clark:1995:FLD,% Knapp:1993:LMC% }. \NAMECITE{{WKB}}{% Gelabert:1994:AWM% }. \NAMECITE{workstation}{% Brode:1993:PDS,% Haase:1993:SMG,% Swanson:1995:PAP% }. \NAMECITE{workstations}{% Feyereisen:1993:IDS,% Matyska:1994:DCS% }. \NAMECITE{World}{% Davidson:1997:BRB% }. \NAMECITE{wreath}{% Liu:1990:CGC% }. \NAMECITE{X}{% Alikhani:1998:DPS,% Bickelhaupt:1995:TIR,% Breidung:1992:SIS,% Fausto:1992:CAC,% Giribet:1998:CSB,% Lopez:1995:ESWb,% Schreckenbach:1999:DFC,% Schwerdtfeger:1993:TIT,% Smith:1991:CPX,% Teixeira-Dias:1991:CBI,% Zhu:1996:IIC,% Dunitz:1990:BRB,% Alikhani:1998:DPS,% Bickelhaupt:1995:TIR,% Boyd:1991:MSD,% David:1993:SSC,% David:1994:XPE,% Karfunkel:1993:CSM,% Krol:1990:AEI,% Palmer:1991:SGC,% Palmer:1992:SGC,% Schwerdtfeger:1993:TIT,% Sun:1999:PMD,% Wu:1996:DBD,% Wu:1996:PVO,% Zheng:1997:TSI,% Teixeira-Dias:1991:CBI% }. \NAMECITE{{X-PLOR}}{% David:1993:SSC% }. \NAMECITE{{X-PLORing}}{% David:1994:XPE% }. \NAMECITE{{X}-ray}{% Boyd:1991:MSD,% Karfunkel:1993:CSM,% Palmer:1991:SGC,% Palmer:1992:SGC,% Sun:1999:PMD,% Wu:1996:DBD,% Wu:1996:PVO% }. \NAMECITE{XeF}{% Styszynski:1997:RAE% }. \NAMECITE{xenon}{% Pullan:1997:EMM,% Styszynski:1997:RAE% }. \NAMECITE{XH}{% Zheng:1997:TSI% }. \NAMECITE{{XONO}}{% Smith:1991:CPX% }. \NAMECITE{{XSiO}}{% Alikhani:1998:DPS% }. \NAMECITE{{XSSX}}{% Bickelhaupt:1995:TIR% }. \NAMECITE{{XVI}}{% Perczel:1996:PMX% }. \NAMECITE{xvii}{% Garst:1990:BRB% }. \NAMECITE{{Yammp}}{% Tan:1993:YDM% }. \NAMECITE{Yarkony}{% Davidson:1997:BRB% }. \NAMECITE{{Yb}}{% Flores:1994:HPA% }. \NAMECITE{Y{}O}{% Teixeira-Dias:1991:CBI% }. \NAMECITE{York}{% Christiansen:1990:BRB,% Dunitz:1990:BRB,% Garst:1990:BRB,% Goldstein:1992:BRB,% Klopmand:1992:BRB,% Mezey:1991:BRB,% Randic:1992:BRB,% Varnali:1992:BRB% }. \NAMECITE{yttrium}{% Hansen:1990:EBS% }. \NAMECITE{{Yukawa}}{% Jensen:1993:EOE% }. \NAMECITE{{Z}}{% Fritsch:1991:MMD,% Liwo:1997:URFb% }. \NAMECITE{{Z-DNA}}{% Fritsch:1991:MMD% }. \NAMECITE{{Z}-score}{% Liwo:1997:URFb% }. \NAMECITE{zeolite}{% Greatbanks:1997:CEC% }. \NAMECITE{zero}{% Li:1996:ETI,% Stefanov:1995:EAC% }. \NAMECITE{zero-flux}{% Stefanov:1995:EAC% }. \NAMECITE{zero-overlap}{% Li:1996:ETI% }. \NAMECITE{zinc}{% Kaupp:1990:PCM,% York:1994:SSS% }. \NAMECITE{{Zn}}{% Gresh:1995:EZB,% Gresh:1995:MPL,% Gresh:1996:CBE,% Marynick:1998:AME,% Shen:1990:PEC,% Sines:1992:KEM,% Stewart:1991:OPS,% Tiraboschi:1999:JQC% }. \NAMECITE{Zupan}{% Goldstein:1992:BRB% }. \NAMECITE{zwitterion}{% Ding:1996:GZW% }. \NAMECITE{zwitterion-water}{% Ding:1996:GZW% }.