-
2
-
-
0034299432
-
-
A. van der Vaart, B. D. Bursulaya, C. L. Brooks, and K. K. Merz, J. Phys. Chem. B 104, 9554 (2000).
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 9554
-
-
Van Der Vaart, A.1
Bursulaya, B.D.2
Brooks, C.L.3
Merz, K.K.4
-
6
-
-
36949017804
-
-
P. Alström, A. Wallqvist, S. Engström, and B. Jönsson, Mol. Phys. 68, 563 (1989).
-
(1989)
Mol. Phys.
, vol.68
, pp. 563
-
-
Alström, P.1
Wallqvist, A.2
Engström, S.3
Jönsson, B.4
-
8
-
-
33751553825
-
-
U. Niesar, G. Corongiu, E. Clementi, G. R. Kneller, and D. K. Bhattacharya, J. Phys. Chem. 94, 7949 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 7949
-
-
Niesar, U.1
Corongiu, G.2
Clementi, E.3
Kneller, G.R.4
Bhattacharya, D.K.5
-
20
-
-
33751158545
-
-
D. N. Bernardo, Y. Ding, K. Krogh-Jespersen, and R. M. Levy, J. Phys. Chem. 98, 4180 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4180
-
-
Bernardo, D.N.1
Ding, Y.2
Krogh-Jespersen, K.3
Levy, R.M.4
-
27
-
-
0000707821
-
-
M. Alfredsson, J. P. Brodholt, K. Hermansson, and R. Vallauri, Mol. Phys. 94, 873 (1998).
-
(1998)
Mol. Phys.
, vol.94
, pp. 873
-
-
Alfredsson, M.1
Brodholt, J.P.2
Hermansson, K.3
Vallauri, R.4
-
28
-
-
0000391861
-
-
J. C. Burnham, J. Li, S. S. Xantheas, and M. Leslie, J. Chem. Phys. 110, 4566 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4566
-
-
Burnham, J.C.1
Li, J.2
Xantheas, S.S.3
Leslie, M.4
-
30
-
-
0343867257
-
-
H. Saint-Martin, J. Hernandez-Cobos, M. I. Bernal-Uruchurtu, I. Ortega-Blake, and H. J. C. Berendsen, J. Chem. Phys. 113, 10899 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 10899
-
-
Saint-Martin, H.1
Hernandez-Cobos, J.2
Bernal-Uruchurtu, M.I.3
Ortega-Blake, I.4
Berendsen, H.J.C.5
-
34
-
-
0035424605
-
-
H. A. Stern, F. Rittner, B. J. Berne, and R. A. Friesner, J. Chem. Phys. 115, 2237 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2237
-
-
Stern, H.A.1
Rittner, F.2
Berne, B.J.3
Friesner, R.A.4
-
45
-
-
4344688786
-
-
T. Yan, C. J. Burnham, M. G. Del Popolo, and G. A. Voth, J. Phys. Chem. B 108, 11877 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 11877
-
-
Yan, T.1
Burnham, C.J.2
Del Popolo, M.G.3
Voth, G.A.4
-
48
-
-
18744402303
-
-
V. M. Anisimov, G. Lamoureux, I. V. Vorobyov, N. Huang, B. Roux, and A. D. MacKerell, Jr., J. Chem. Theory Comput. 1, 153 (2005).
-
(2005)
J. Chem. Theory Comput.
, vol.1
, pp. 153
-
-
Anisimov, V.M.1
Lamoureux, G.2
Vorobyov, I.V.3
Huang, N.4
Roux, B.5
MacKerell Jr., A.D.6
-
50
-
-
18744378400
-
-
E. Harder, B. Kim, R. A. Friesner, and B. J. Berne, J. Chem. Theory Comput. 1, 169 (2005).
-
(2005)
J. Chem. Theory Comput.
, vol.1
, pp. 169
-
-
Harder, E.1
Kim, B.2
Friesner, R.A.3
Berne, B.J.4
-
51
-
-
22944438399
-
-
R. Chelli, M. Pagliai, P. Procacci, G. Cardini, and V. Schettino, J. Chem. Phys. 122, 074504 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 074504
-
-
Chelli, R.1
Pagliai, M.2
Procacci, P.3
Cardini, G.4
Schettino, V.5
-
62
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 100, 7410 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
72
-
-
84944648082
-
-
R. D. Shannon, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. A32, 751 (1976).
-
(1976)
Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr.
, vol.32
, pp. 751
-
-
Shannon, R.D.1
-
75
-
-
0003944545
-
-
4th ed. (Harper Collins, New York
-
J. E. Huheey, E. A. Keiter, and R. L. Keiter, Inorganic Chemistry: Principles of Structure and Reactivity, 4th ed. (Harper Collins, New York, 1993).
-
(1993)
Inorganic Chemistry: Principles of Structure and Reactivity
-
-
Huheey, J.E.1
Keiter, E.A.2
Keiter, R.L.3
-
77
-
-
0004161838
-
-
2nd ed. (Cambridge University Press, Cambridge, England
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran 77, 2nd ed. (Cambridge University Press, Cambridge, England, 1992).
-
(1992)
Numerical Recipes in Fortran 77
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
80
-
-
0001723482
-
-
Y. Ishikawa, R. Baretty, and R. C. Binning, Jr., Chem. Phys. Lett. 121, 130 (1985).
-
(1985)
Chem. Phys. Lett.
, vol.121
, pp. 130
-
-
Ishikawa, Y.1
Baretty, R.2
Binning Jr., R.C.3
-
81
-
-
0037040790
-
-
L. Jensen, P.-O. Åstrand, A. Osted, J. Kongsted, and K. V. Mikkelsen, J. Chem. Phys. 116, 4001 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 4001
-
-
Jensen, L.1
Åstrand, P.-O.2
Osted, A.3
Kongsted, J.4
Mikkelsen, K.V.5
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