-
2
-
-
0001074253
-
-
H. Pelzer and E. Wigner, Z. Phys. Chem. Abt. B 15, 445 (1932); E. Wigner, ibid. 19, 203 (1932).
-
(1932)
Z. Phys. Chem. Abt.
, vol.19
, pp. 203
-
-
Wigner, E.1
-
7
-
-
0001432896
-
New Theoretical Concepts for Understanding Organic Reactions
-
edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht)
-
S. C. Tucker and D. G. Truhlar, in New Theoretical Concepts for Understanding Organic Reactions, NATO Advanced Science Institutes Series C, edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht, 1989), Vol. 267, pp. 291-346.
-
(1989)
NATO Advanced Science Institutes Series C
, vol.267
, pp. 291-346
-
-
Tucker, S.C.1
Truhlar, D.G.2
-
10
-
-
0001996824
-
-
edited by A. S. Nowick and J. Burton (Academic, New York)
-
C. H. Bennett, in Diffusion in Solids: Recent Developments, edited by A. S. Nowick and J. Burton (Academic, New York, 1975), pp. 73-113.
-
(1975)
Diffusion in Solids: Recent Developments
, pp. 73-113
-
-
Bennett, C.H.1
-
11
-
-
0003039367
-
Algorithm for Chemical Computations
-
edited by R. E. Christofferson (American Chemical Society, Washington, D.C.)
-
C. H. Bennett, in Algorithm for Chemical Computations, ACS Symposium Series, edited by R. E. Christofferson (American Chemical Society, Washington, D.C., 1977), Vol. 46, pp. 63-97.
-
(1977)
ACS Symposium Series
, vol.46
, pp. 63-97
-
-
Bennett, C.H.1
-
13
-
-
0000925532
-
-
edited by M. Baer (CRC, Boca Raton)
-
J. T. Hynes, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), Vol. 4, pp. 171-234.
-
(1985)
Theory of Chemical Reaction Dynamics
, vol.4
, pp. 171-234
-
-
Hynes, J.T.1
-
17
-
-
0035827163
-
-
M. Garcia-Viloca, C. Alhambra, D. G. Truhlar, and J. Gao, J. Chem. Phys. 114, 9953 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9953
-
-
Garcia-Viloca, M.1
Alhambra, C.2
Truhlar, D.G.3
Gao, J.4
-
18
-
-
0035892157
-
-
C. Alhambra, J. Corchado, M. L. Sanchez, M. Garcia-Viloca, J. Gao, and D. G. Truhlar, J. Phys. Chem. B 105, 11326 (2001).
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 11326
-
-
Alhambra, C.1
Corchado, J.2
Sanchez, M.L.3
Garcia-Viloca, M.4
Gao, J.5
Truhlar, D.G.6
-
22
-
-
0002000203
-
-
edited by M. Baer (CRC, Boca Raton)
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), p. 65; D. G. Truhlar and B. C. Garrett, Faraday Discuss. Chem. Soc. 84, 465 (1987).
-
(1985)
Theory of Chemical Reaction Dynamics
, pp. 65
-
-
Truhlar, D.G.1
Isaacson, A.D.2
Garrett, B.C.3
-
23
-
-
0142025770
-
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), p. 65; D. G. Truhlar and B. C. Garrett, Faraday Discuss. Chem. Soc. 84, 465 (1987).
-
(1987)
Faraday Discuss. Chem. Soc.
, vol.84
, pp. 465
-
-
Truhlar, D.G.1
Garrett, B.C.2
-
24
-
-
0000282776
-
-
G. Cicotti, M. Ferrario, J. T. Hynes, and R. Kapral, J. Chem. Phys. 93, 7137 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 7137
-
-
Cicotti, G.1
Ferrario, M.2
Hynes, J.T.3
Kapral, R.4
-
29
-
-
0028493928
-
-
D. G. Truhlar, Y.-P. Liu, G. K. Schenter, and B. C. Garrett, J. Phys. Chem. 98, 8396 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 8396
-
-
Truhlar, D.G.1
Liu, Y.-P.2
Schenter, G.K.3
Garrett, B.C.4
-
36
-
-
4243661501
-
-
E. A. Carter, G. Ciccotti, J. T. Hynes, and R. Kapral, Chem. Phys. Lett. 156, 472 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 472
-
-
Carter, E.A.1
Ciccotti, G.2
Hynes, J.T.3
Kapral, R.4
-
39
-
-
0000204703
-
-
S. K. Gray, W. H. Miller, Y. Yamaguchi, and H. F. Schaefer III, J. Chem. Phys. 73, 2733 (1980).
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 2733
-
-
Gray, S.K.1
Miller, W.H.2
Yamaguchi, Y.3
Schaefer H.F. III4
-
42
-
-
0026424868
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 5599
-
-
Pohorille, A.1
Benjamin, I.2
-
43
-
-
0026425837
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 6005
-
-
Wilson, M.A.1
Pohorille, A.2
-
44
-
-
0031575872
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 3130
-
-
Wilson, M.A.1
Pohorille, A.2
-
45
-
-
0031191080
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 5473
-
-
Taylor, R.S.1
Ray, D.2
Garrett, B.C.3
-
46
-
-
0000673818
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 818
-
-
Chang, T.-M.1
Dang, L.X.2
-
47
-
-
0000123009
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 8070
-
-
Benjamin, I.1
-
48
-
-
0007078243
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 4862
-
-
Marmier, A.1
Hoang, P.N.M.2
Giradet, C.3
Lynden-Bell, R.M.4
-
49
-
-
0001442251
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 844
-
-
Taylor, R.S.1
Garrett, B.C.2
-
50
-
-
0347652674
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 8195
-
-
Dang, L.X.1
-
51
-
-
0000230288
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 10274
-
-
Schweighofer, K.1
Benjamin, I.2
-
52
-
-
0034636565
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4403
-
-
Dang, L.X.1
Feller, D.2
-
53
-
-
0034819150
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 804
-
-
Dang, L.X.1
-
54
-
-
0035951251
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(2001)
Langmuir
, vol.17
, pp. 8434
-
-
Shin, J.Y.1
Abbott, N.L.2
-
55
-
-
0037123079
-
-
A. Pohorille and I. Benjamin, J. Chem. Phys. 94, 5599 (1991); M. A. Wilson and A. Pohorille, ibid. 95, 6005 (1991); M. A. Wilson and A. Pohorille, J. Phys. Chem. B 101, 3130 (1997); R. S. Taylor, D. Ray, and B. C. Garrett, ibid. 101, 5473 (1997); T.-M. Chang and L. X. Dang, J. Chem. Phys. 108, 818 (1998); I. Benjamin, ibid. 110, 8070 (1999); A. Marmier, P. N. M. Hoang, C. Giradet, and R. M. Lynden-Bell, ibid. 111, 4862 (1999); R. S. Taylor and B. C. Garrett, J. Phys. Chem. B 103, 844 (1999); L. X. Dang, ibid. 103, 8195 (1999); K. Schweighofer and I. Benjamin, J. Phys. Chem. A 103, 10274 (1999); L. X. Dang and D. Feller, J. Phys. Chem. B 104, 4403 (2000); L. X. Dang, ibid. 105, 804 (2001); J. Y. Shin and N. L. Abbott, Langmuir 17, 8434 (2001); L. X. Dang and T.-M. Chang, J. Phys. Chem. B 106, 235 (2002).
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 235
-
-
Dang, L.X.1
Chang, T.-M.2
-
59
-
-
0142025769
-
-
B. L. Trout and M. Parrinello, Chem. Phys. Lett. 288, 343 (1998); J. Phys. Chem. B 103, 7340 (1999).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 7340
-
-
-
62
-
-
0032724367
-
-
A. Thomas, D. Jorand, C. Bret, P. Amara, and M. J. Field, J. Am. Chem. Soc. 121, 9693 (1999).
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 9693
-
-
Thomas, A.1
Jorand, D.2
Bret, C.3
Amara, P.4
Field, M.J.5
-
64
-
-
0042693935
-
-
S. J. Klippenstein, Chem. Phys. Lett. 170, 71 (1990); J. Chem. Phys. 94, 6469 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6469
-
-
-
65
-
-
0033716874
-
-
M. Boero, Y. Morikawa, K. Terakura, and M. Ozeki, J. Chem. Phys. 112, 9549 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 9549
-
-
Boero, M.1
Morikawa, Y.2
Terakura, K.3
Ozeki, M.4
-
66
-
-
0035828664
-
-
A. A. Farajian, M. Mikami, P. Ordejón, and K. Tanabe, J. Chem. Phys. 115, 6401 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6401
-
-
Farajian, A.A.1
Mikami, M.2
Ordejón, P.3
Tanabe, K.4
-
67
-
-
0142089454
-
-
M. Boero, M. Parrinello, S. Huffer, and H. Weiss, J. Am. Chem. Soc. 122, 410 (2000); M. Boero, M. Parrinello, H. Weiss, and S. Huffer, J. Phys. Chem. A 105, 5096 (2001).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 410
-
-
Boero, M.1
Parrinello, M.2
Huffer, S.3
Weiss, H.4
-
68
-
-
0035979115
-
-
M. Boero, M. Parrinello, S. Huffer, and H. Weiss, J. Am. Chem. Soc. 122, 410 (2000); M. Boero, M. Parrinello, H. Weiss, and S. Huffer, J. Phys. Chem. A 105, 5096 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 5096
-
-
Boero, M.1
Parrinello, M.2
Weiss, H.3
Huffer, S.4
-
69
-
-
0033626114
-
-
K. C. Hass, W. F. Schneider, A. Curioni, and W. Andreoni, J. Phys. Chem. B 104, 5527 (2000); S. Iarlori, D. Ceresoli, M. Bernasconi, D. Donadio, and M. Parrinello, ibid. 105, 8007 (2001).
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 5527
-
-
Hass, K.C.1
Schneider, W.F.2
Curioni, A.3
Andreoni, W.4
-
70
-
-
0035940239
-
-
K. C. Hass, W. F. Schneider, A. Curioni, and W. Andreoni, J. Phys. Chem. B 104, 5527 (2000); S. Iarlori, D. Ceresoli, M. Bernasconi, D. Donadio, and M. Parrinello, ibid. 105, 8007 (2001).
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 8007
-
-
Iarlori, S.1
Ceresoli, D.2
Bernasconi, M.3
Donadio, D.4
Parrinello, M.5
-
73
-
-
0000867183
-
-
S. C. Smith, J. Chem. Phys. 97, 2406 (1992); J. Phys. Chem. 97, 7034 (1993).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2406
-
-
Smith, S.C.1
-
74
-
-
0000444785
-
-
S. C. Smith, J. Chem. Phys. 97, 2406 (1992); J. Phys. Chem. 97, 7034 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 7034
-
-
-
75
-
-
0032577020
-
-
C. Alhambra, L. Wu, Z.-Y. Zhang, and J. Gao, J. Am. Chem. Soc. 120, 3858 (1998).
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 3858
-
-
Alhambra, C.1
Wu, L.2
Zhang, Z.-Y.3
Gao, J.4
-
77
-
-
0033577302
-
-
C. Alhambra, J. Gao, J. C. Corchado, J. Villà, and D. G. Truhlar, J. Am. Chem. Soc. 121, 2253 (1999).
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 2253
-
-
Alhambra, C.1
Gao, J.2
Corchado, J.C.3
Villà, J.4
Truhlar, D.G.5
-
80
-
-
0142089453
-
-
S. Kumar, J. M. Rosenberg, D. Bouzida, R. H. Swendsen, and P. A. Kollman, J. Comput. Chem. 16, 1539 (1995).
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 1539
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
85
-
-
0035810446
-
-
B. Ensing, E. J. Meijer, P. E. Blochl, and E. J. Baerends, J. Phys. Chem. A 105, 3300 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3300
-
-
Ensing, B.1
Meijer, E.J.2
Blochl, P.E.3
Baerends, E.J.4
-
91
-
-
33847016379
-
-
G. A. Natanson, B. C. Garrett, T. N. Truong, T. Joseph, and D. G. Truhlar, J. Chem. Phys. 94, 7875 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7875
-
-
Natanson, G.A.1
Garrett, B.C.2
Truong, T.N.3
Joseph, T.4
Truhlar, D.G.5
-
93
-
-
0031673117
-
-
Y.-Y. Chuang and D. G. Truhlar, J. Phys. Chem. A 102, 242 (1998); Y.-Y. Chuang, C. J. Cramer, and D. G. Truhlar, Int. J. Quantum Chem. 70, 887 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 242
-
-
Chuang, Y.-Y.1
Truhlar, D.G.2
-
94
-
-
0031673117
-
-
Y.-Y. Chuang and D. G. Truhlar, J. Phys. Chem. A 102, 242 (1998); Y.-Y. Chuang, C. J. Cramer, and D. G. Truhlar, Int. J. Quantum Chem. 70, 887 (1998).
-
(1998)
Int. J. Quantum Chem.
, vol.70
, pp. 887
-
-
Chuang, Y.-Y.1
Cramer, C.J.2
Truhlar, D.G.3
-
98
-
-
33845184792
-
-
D. A. Zichi, G. Ciccotti, J. T. Hynes, and M. Ferrario, J. Phys. Chem. 93, 6261 (1989).
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 6261
-
-
Zichi, D.A.1
Ciccotti, G.2
Hynes, J.T.3
Ferrario, M.4
-
101
-
-
0035870566
-
-
S. R. Billeter, S. P. Webb, T. Iordanov, P. K. Agarwal, and S. Hammes-Schiffer, J. Chem. Phys. 114, 6925 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 6925
-
-
Billeter, S.R.1
Webb, S.P.2
Iordanov, T.3
Agarwal, P.K.4
Hammes-Schiffer, S.5
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