Last update: Sun Jun 2 02:01:03 MDT 2019
Top |
Symbols |
Math |
A |
B |
C |
D |
E |
F |
G |
H |
I |
J |
K |
L |
M |
N |
O |
P |
Q |
R |
S |
T |
U |
V |
W |
X |
Y |
Z
BibTeX entry
@Article{Tiraboschi:1999:JQC,
author = "Gilles Tiraboschi and Bernard-Pierre Roques and Nohad
Gresh",
title = "Joint quantum chemical and polarizable molecular
mechanics investigation of formate complexes with
penta- and hexahydrated {Zn$^{2+}$}: {Comparison}
between energetics of model bidentate, monodentate, and
through-water {Zn$^{2+}$} binding modes and evaluation
of nonadditivity effects",
journal = j-J-COMPUT-CHEM,
volume = "20",
number = "13",
pages = "1379--1390",
month = oct,
year = "1999",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/(SICI)1096-987X(199910)20:13<1379::AID-JCC5>3.0.CO;2-0",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 15:11:25 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1990.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "31 Aug 1999",
}
Related entries
- $^{2+}$,
12(10)1165,
16(7)843,
16(7)856,
17(12)1481,
19(13)1456,
20(13)1343
- binding,
11(2)242,
11(3)314,
12(6)717,
14(1)45,
15(11)1241,
16(4)445,
16(4)486,
16(7)856,
16(12)1459,
17(3)350,
17(8)931,
17(12)1481,
17(14)1587,
17(14)1598,
18(16)1985,
18(16)2012,
19(1)21,
19(14)1639,
20(9)983,
20(11)1091,
20(11)1177,
20(15)1634
- chemical,
0(0)278,
0(0)331,
11(2)194,
11(2)217,
12(5)546,
12(7)779,
12(10)1223,
13(2)199,
13(6)792,
14(3)371,
14(6)667,
17(16)1820,
18(1)126,
18(5)617,
18(5)694,
18(6)816,
18(9)1136,
19(2)113,
19(6)585,
19(6)628,
19(7)716,
19(8)935,
19(8)947,
20(1)91,
20(1)129,
20(8)760,
20(12)1220,
20(12)1304,
20(14)1517
- comparison,
11(1)32,
11(2)159,
11(4)541,
11(4)543,
11(9)1021,
12(1)52,
12(1)119,
12(2)172,
12(2)200,
12(3)292,
12(4)417,
12(6)742,
12(8)959,
12(9)1134,
13(1)41,
13(4)525,
13(5)640,
13(7)793,
14(1)75,
14(4)401,
14(4)438,
14(4)478,
14(5)620,
14(6)736,
14(7)790,
14(8)899,
14(8)922,
14(9)1085,
14(9)1101,
14(10)1149,
14(11)1281,
14(12)1498,
14(12)1504,
15(1)12,
15(8)875,
15(10)1176,
15(11)1228,
16(3)385,
16(6)777,
16(8)973,
16(9)1067,
16(12)1543,
16(12)1554,
17(2)185,
17(2)250,
17(4)429,
17(7)841,
17(7)888,
17(9)1142,
17(11)1296,
17(13)1508,
17(14)1653,
17(15)1696,
17(15)1757,
18(1)108,
18(1)115,
18(2)169,
18(4)449,
18(4)562,
18(7)902,
18(7)920,
18(8)1011,
18(8)1043,
18(8)1072,
18(9)1136,
18(13)1609,
19(3)308,
19(4)377,
19(11)1294,
19(14)1596,
20(2)244,
20(2)274,
20(4)383,
20(11)1177,
20(12)1299,
20(13)1329,
20(13)1343
- complex,
11(1)1,
11(2)242,
11(3)326,
11(9)1061,
11(10)1217,
12(1)1,
12(7)899,
12(8)923,
12(8)994,
13(1)76,
14(1)37,
14(6)699,
14(8)899,
14(8)961,
14(12)1561,
15(7)704,
15(9)1013,
15(10)1074,
16(1)131,
16(5)534,
16(7)843,
16(8)1027,
16(10)1210,
17(3)338,
17(8)919,
17(13)1520,
17(14)1624,
17(15)1712,
18(1)45,
18(6)723,
18(9)1124,
18(15)1848,
18(15)1863,
19(2)139,
19(8)820,
19(8)902,
19(8)912,
19(10)1167,
20(3)287,
20(5)511,
20(9)911,
20(9)956,
20(12)1254,
20(13)1391,
20(16)1685
- effect,
11(2)170,
11(2)242,
11(5)573,
11(5)623,
11(7)765,
11(8)930,
11(9)1080,
12(1)78,
12(1)135,
12(2)180,
12(3)292,
12(6)751,
12(6)761,
12(9)1134,
13(1)66,
13(2)115,
13(6)722,
13(7)821,
13(9)1089,
14(3)253,
14(3)295,
14(3)371,
14(5)510,
14(5)522,
14(8)913,
14(11)1281,
14(11)1313,
15(2)155,
15(2)241,
15(6)644,
15(11)1217,
15(12)1341,
16(11)1428,
17(2)185,
17(3)298,
17(5)747,
17(7)757,
17(7)864,
17(14)1587,
17(14)1598,
18(1)1,
18(3)313,
18(5)677,
18(8)1023,
18(9)1190,
18(16)1993,
19(2)129,
19(3)290,
19(3)363,
19(5)475,
19(8)866,
19(8)961,
19(10)1130,
19(13)1482,
19(13)1526,
19(13)1553,
19(14)1584,
19(14)1604,
20(3)322,
20(9)971,
20(11)1145,
20(12)1274,
20(12)1281,
20(16)1685
- energetic,
12(3)410,
14(3)295,
16(7)856,
17(2)238,
17(12)1481,
17(13)1508,
18(9)1190,
18(11)1415,
18(14)1695,
19(8)811,
20(11)1138
- evaluation,
11(1)112,
11(2)217,
11(8)972,
12(1)126,
12(2)215,
12(6)664,
12(8)1025,
13(1)12,
13(1)70,
13(4)505,
13(6)693,
14(1)30,
14(8)907,
14(8)986,
14(12)1498,
14(12)1561,
15(9)1041,
15(10)1139,
16(1)20,
16(3)285,
16(4)454,
16(4)501,
16(9)1120,
16(12)1459,
16(12)1507,
17(4)469,
17(7)790,
18(3)393,
18(4)449,
18(4)552,
18(9)1175,
18(14)1729,
19(2)154,
19(2)215,
20(11)1165,
20(11)1177,
20(16)1740
- formate,
12(9)1134
- Gresh, Nohad,
16(7)843,
16(7)856,
17(12)1481
- investigation,
13(5)657,
13(9)1066,
14(8)913,
14(12)1575,
16(4)465,
16(7)856,
17(2)133,
17(2)250,
17(4)396,
17(12)1481,
17(14)1624,
18(2)198,
19(2)113,
19(2)240,
19(8)947,
19(9)989,
19(12)1345
- Joint,
17(10)1245
- mechanics,
11(3)326,
11(4)440,
11(6)734,
11(7)848,
11(7)868,
11(8)952,
11(9)1061,
11(9)1087,
12(1)78,
12(2)200,
12(3)310,
12(3)385,
12(4)427,
12(5)575,
12(5)620,
12(7)839,
12(7)872,
12(7)880,
12(8)943,
12(8)994,
12(10)1232,
13(1)57,
13(4)408,
13(4)525,
13(5)541,
13(5)633,
13(7)851,
13(8)971,
13(9)1125,
13(9)1138,
13(9)1142,
14(3)353,
14(4)379,
14(4)455,
14(6)655,
14(7)755,
14(8)881,
14(8)977,
15(2)190,
15(3)283,
15(3)333,
15(8)866,
15(10)1105,
15(11)1228,
15(11)1254,
15(12)1321,
15(12)1446,
16(1)1,
16(5)620,
16(7)856,
16(9)1131,
16(9)1170,
16(10)1250,
17(1)19,
17(2)156,
17(4)396,
17(4)429,
17(5)669,
17(5)695,
17(5)730,
17(5)747,
17(8)1013,
17(9)1132,
17(11)1328,
17(12)1395,
17(12)1481,
17(13)1564,
18(2)221,
18(2)254,
18(4)449,
18(5)712,
18(8)1056,
18(9)1211,
18(11)1371,
18(12)1496,
18(12)1523,
18(13)1632,
18(14)1804,
18(15)1827,
19(1)71,
19(5)512,
19(7)754,
19(10)1146,
19(10)1167,
19(12)1370,
19(12)1387,
19(12)1402,
20(6)604,
20(10)1028,
20(10)1067,
20(13)1401,
20(15)1618
- mode,
12(3)359,
14(10)1212,
14(11)1259,
15(8)820,
17(2)204,
18(6)796,
18(10)1282,
19(14)1663,
20(3)287
- model,
0(0)xvii--493,
11(2)266,
11(5)560,
11(6)734,
11(8)899,
11(8)924,
11(8)994,
12(1)52,
12(5)635,
12(7)784,
12(7)792,
12(7)899,
12(10)1187,
13(2)115,
13(2)199,
13(6)704,
13(7)793,
13(7)810,
13(7)883,
13(8)952,
13(9)1089,
13(9)1109,
14(1)19,
14(1)89,
14(3)253,
14(3)263,
14(5)503,
14(6)667,
14(6)680,
14(7)775,
14(8)970,
14(10)1149,
14(10)1250,
14(12)1423,
14(12)1534,
15(7)719,
15(10)1064,
16(1)1,
16(1)20,
16(2)188,
16(2)243,
16(3)385,
16(4)422,
16(4)486,
16(4)501,
16(5)628,
16(6)705,
16(6)777,
16(8)1027,
16(9)1081,
16(9)1164,
16(10)1181,
16(12)1468,
16(12)1543,
17(2)148,
17(2)204,
17(7)757,
17(7)821,
17(7)841,
17(8)1056,
17(9)1099,
17(10)1229,
17(14)1633,
17(15)1757,
18(1)108,
18(2)198,
18(4)562,
18(8)1061,
18(12)1496,
18(13)1632,
18(13)1647,
18(13)1668,
18(16)2075,
19(3)290,
19(4)396,
19(4)404,
19(7)754,
19(7)769,
19(8)833,
19(8)847,
19(8)977,
19(15)1675,
20(3)322,
20(3)354,
20(6)579,
20(9)897,
20(9)928,
20(9)956,
20(11)1145,
20(11)1186,
20(12)1292,
20(12)1299,
20(14)1533,
20(16)1693,
20(16)1702
- polarizable,
13(2)115,
16(1)20,
16(9)1141,
18(8)1061,
19(3)290,
19(4)404,
20(11)1186,
20(16)1693
- quantum,
11(1)105,
11(6)700,
12(6)664,
13(2)199,
13(4)414,
14(3)371,
14(6)667,
15(2)162,
15(3)269,
15(10)1113,
15(11)1217,
15(11)1311,
16(1)37,
16(10)1227,
16(11)1445,
16(12)1513,
17(1)87,
17(4)386,
17(8)919,
17(16)1820,
18(5)617,
18(5)702,
18(9)1136,
18(12)1484,
18(16)2023,
19(1)38,
19(4)430,
19(6)585,
19(8)935,
19(8)947,
19(8)977,
19(9)1053,
19(9)1101,
19(10)1146,
19(14)1575,
20(3)365,
20(6)604,
20(8)886,
20(9)911,
20(10)1028,
20(13)1401,
20(15)1593,
20(15)1618
- Zn,
11(3)346,
12(3)320,
13(1)66,
16(7)843,
16(7)856,
17(12)1481,
19(13)1456