-
2
-
-
0342876686
-
-
W. J. Mortier, S. K. Ghosh and S. Shankar, J. Am. Chem. Soc., 1986, 108, 4315.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4315
-
-
Mortier, W.J.1
Ghosh, S.K.2
Shankar, S.3
-
5
-
-
0037013378
-
-
K.-H. Cho, Y. K. Kang, K. T. No and H. A. Scheraea, J. Phys. Chem. B, 2001, 105, 3624.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 3624
-
-
Cho, K.-H.1
Kang, Y.K.2
No, K.T.3
Scheraea, H.A.4
-
8
-
-
36148995600
-
-
A. E. Reed, R. B. Weinstock and F. Weinhold, J. Chem. Phys., 1985, 83, 735.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
10
-
-
3042524904
-
-
C. I. Bayly, P. Cieplak, W. D. Cornell and P. A. Kollman, J. Phys. Chem., 1993, 97, 10269.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
14
-
-
0001349177
-
-
Y.-P. Liu, K. Kim, B. J. Berne, R. A. Friesner and S. W. Rick, J. Chem. Phys., 1998, 108, 4739.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4739
-
-
Liu, Y.-P.1
Kim, K.2
Berne, B.J.3
Friesner, R.A.4
Rick, S.W.5
-
16
-
-
33845378399
-
-
W. J. Mortier, K. V. Genechten and J. Gasteiger, J. Am. Chem. Soc., 1985, 107, 829.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 829
-
-
Mortier, W.J.1
Genechten, K.V.2
Gasteiger, J.3
-
17
-
-
0040467756
-
-
F. De Proft, W. Langenaeker and P. Geerlings, J. Phys. Chem., 1993, 97, 1826.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1826
-
-
De Proft, F.1
Langenaeker, W.2
Geerlings, P.3
-
18
-
-
0029248338
-
-
J. W. Storer, D. J. Giesen, C. J. Cramer and D. G. Truhlar, J. Comput.-Aided Mol. Des., 1995, 9, 87.
-
(1995)
J. Comput.-Aided Mol. Des.
, vol.9
, pp. 87
-
-
Storer, J.W.1
Giesen, D.J.2
Cramer, C.J.3
Truhlar, D.G.4
-
19
-
-
0000958036
-
-
J. Li, T. Zhu, C. J. Cramer and D. G. Truhlar, J. Phys. Chem. A, 1998, 102, 1820.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1820
-
-
Li, J.1
Zhu, T.2
Cramer, C.J.3
Truhlar, D.G.4
-
20
-
-
33748905333
-
-
C. C. Chambers, G. D. Hawkins, C. J. Cramer and D. G. Truhlar, J. Phys. Chem., 1996, 100, 16385.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16385
-
-
Chambers, C.C.1
Hawkins, G.D.2
Cramer, C.J.3
Truhlar, D.G.4
-
22
-
-
0000705154
-
-
J. L. Banks, G. A. Kaminski, R. H. Zhou, D. T. Mainz, B. J. Berne and R. A. Friesner, J. Chem. Phys., 1999, 110, 741.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 741
-
-
Banks, J.L.1
Kaminski, G.A.2
Zhou, R.H.3
Mainz, D.T.4
Berne, B.J.5
Friesner, R.A.6
-
23
-
-
0036724727
-
-
L. G. Dias, K. Shimizu, J. P. S. Farah and H. Chaimovich, Chem. Phys., 2002, 282, 237.
-
(2002)
Chem. Phys.
, vol.282
, pp. 237
-
-
Dias, L.G.1
Shimizu, K.2
Farah, J.P.S.3
Chaimovich, H.4
-
24
-
-
84990642299
-
-
R. F. Nalewajski, J. Korchowiec and Z. Zhou, Int. J. Quantum Chem. Quantum Chem. Symp., 1988, 22, 349.
-
(1988)
Int. J. Quantum Chem. Quantum Chem. Symp.
, vol.22
, pp. 349
-
-
Nalewajski, R.F.1
Korchowiec, J.2
Zhou, Z.3
-
25
-
-
0003926243
-
-
G. D. Hawkins, D. J. Giesen, G. C. Lynch, C. C. Chambers, I. Rossi, J. W. Storer, J. Li, T. Zhu, P. Winget, D. Rinaldi, D. A. Liotard, C. J. Cramer, D. G. Truhlar, AMSOL-version6.6, 1999.
-
(1999)
AMSOL-version6.6
-
-
Hawkins, G.D.1
Giesen, D.J.2
Lynch, G.C.3
Chambers, C.C.4
Rossi, I.5
Storer, J.W.6
Li, J.7
Zhu, T.8
Winget, P.9
Rinaldi, D.10
Liotard, D.A.11
Cramer, C.J.12
Truhlar, D.G.13
-
27
-
-
27944477964
-
-
D. L. Carroll's World Wide Web site: http://cuaerospace.com/carroll/ga. html, accessed in May/2002.
-
-
-
-
28
-
-
0004161838
-
-
Cambridge University Press, New York
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flannery, Numerical Recipes in Fortran 77: The Art of Scientific Computing, 2nd edn., Cambridge University Press, New York, 1992.
-
(1992)
Numerical Recipes in Fortran 77: The Art of Scientific Computing, 2nd Edn.
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
30
-
-
0000422391
-
-
H. Toufar, K. Nulens, G. O. A. Janssens, W. J. Mortier, R. A. Schoonheydt, F. De Proft and P. Geerlings, J. Phys. Chem., 1996, 100, 15383.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 15383
-
-
Toufar, H.1
Nulens, K.2
Janssens, G.O.A.3
Mortier, W.J.4
Schoonheydt, R.A.5
De Proft, F.6
Geerlings, P.7
-
32
-
-
0000211281
-
-
B. Martin, P. Gedeck and T. Clark, Int. J. Quantum Chem., 2000, 77, 473.
-
(2000)
Int. J. Quantum Chem.
, vol.77
, pp. 473
-
-
Martin, B.1
Gedeck, P.2
Clark, T.3
-
33
-
-
0000596576
-
-
K. T. No, K. H. Cho, M. S. Jhon and H. A. Scheraca, J. Am. Chem. Soc., 1993, 115, 2005.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 2005
-
-
No, K.T.1
Cho, K.H.2
Jhon, M.S.3
Scheraca, H.A.4
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