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BibTeX entry
@Article{Gresh:1996:CBE,
author = "Nohad Gresh and David R. Garmer",
title = "Comparative binding energetics of {Mg$^{2+}$},
{Ca$^{2+}$}, {Zn$^{2+}$}, and {Cd$^{2+}$} to
biologically relevant ligands: {Combined} ab initio
{SCF} supermolecule and molecular mechanics
investigation",
journal = j-J-COMPUT-CHEM,
volume = "17",
number = "12",
pages = "1481--1495",
month = sep,
year = "1996",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/(SICI)1096-987X(199609)17:12<1481::AID-JCC7>3.0.CO;2-G",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 15:11:10 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 = "7 Dec 1998",
}
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19(13)1456,
20(13)1343,
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11(2)242,
11(3)314,
12(6)717,
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15(11)1241,
16(4)445,
16(4)486,
16(7)856,
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20(11)1091,
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20(13)1379,
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12(10)1278,
16(7)856
- Ca,
15(7)782,
19(13)1456
- Cd,
12(3)320,
15(7)782
- combined,
11(6)700,
11(7)791,
11(7)819,
13(5)633,
15(1)90,
15(11)1311,
16(12)1513,
17(1)87,
17(4)386,
17(16)1848,
18(12)1484,
19(3)334,
19(8)977,
20(11)1153,
20(13)1401
- comparative,
11(4)416,
11(9)1038,
12(5)594,
14(2)237,
14(5)530,
15(3)313,
16(4)449,
16(9)1096,
16(10)1227,
17(3)273,
17(11)1296,
19(6)575,
20(6)636,
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12(3)410,
14(3)295,
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18(9)1190,
18(11)1415,
18(14)1695,
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20(11)1138,
20(13)1379
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16(7)856,
20(13)1379
- 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(14)1624,
18(2)198,
19(2)113,
19(2)240,
19(8)947,
19(9)989,
19(12)1345,
20(13)1379
- ligand,
11(3)314,
13(6)730,
14(2)237,
14(5)522,
14(8)961,
14(9)1042,
15(2)233,
15(7)704,
16(7)856,
16(8)1027,
16(10)1210,
17(14)1587,
18(14)1812,
19(1)21,
19(5)512,
20(3)287,
20(9)983,
20(11)1091,
20(11)1165,
20(11)1177
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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,
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15(2)190,
15(3)283,
15(3)333,
15(8)866,
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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(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,
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20(10)1028,
20(10)1067,
20(13)1379,
20(13)1401,
20(15)1618
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12(3)320,
18(8)1011,
19(13)1456
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13(9)1151,
16(7)856
- SCF,
11(1)1,
12(9)1058,
12(9)1147,
13(2)160,
14(4)401,
14(7)818,
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14(10)1234,
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16(2)146,
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18(6)816
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19(13)1456,
20(13)1379