-
1
-
-
0027977295
-
-
See, for example, J. Florián, V. Hrouda, and P. Hobza, J. Am. Chem. Soc. 116, 1457 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1457
-
-
Florián, J.1
Hrouda, V.2
Hobza, P.3
-
2
-
-
0025829307
-
-
See, for example, R.A. Mathies, S.W. Lin, J.B. Ames, and W.T. Pollard, Annu. Rev. Biophys. Biophys. Chem. 20, 491 (1991); R. Henderson, J.M. Baldwin, T.A. Ceska, F. Zemlin, E. Beckmann, and K.H. Downing, J. Mol. Biol. 213, 899 (1990).
-
(1991)
Annu. Rev. Biophys. Biophys. Chem.
, vol.20
, pp. 491
-
-
Mathies, R.A.1
Lin, S.W.2
Ames, J.B.3
Pollard, W.T.4
-
3
-
-
0025292355
-
-
See, for example, R.A. Mathies, S.W. Lin, J.B. Ames, and W.T. Pollard, Annu. Rev. Biophys. Biophys. Chem. 20, 491 (1991); R. Henderson, J.M. Baldwin, T.A. Ceska, F. Zemlin, E. Beckmann, and K.H. Downing, J. Mol. Biol. 213, 899 (1990).
-
(1990)
J. Mol. Biol.
, vol.213
, pp. 899
-
-
Henderson, R.1
Baldwin, J.M.2
Ceska, T.A.3
Zemlin, F.4
Beckmann, E.5
Downing, K.H.6
-
4
-
-
0026718120
-
-
See, for example, M.Y. Okamura and G. Feher, Annu. Rev. Biochem. 61, 861 (1992); L. Baciou and H. Michel, Biochemistry 34, 7967 (1995).
-
(1992)
Annu. Rev. Biochem.
, vol.61
, pp. 861
-
-
Okamura, M.Y.1
Feher, G.2
-
5
-
-
0029032587
-
-
See, for example, M.Y. Okamura and G. Feher, Annu. Rev. Biochem. 61, 861 (1992); L. Baciou and H. Michel, Biochemistry 34, 7967 (1995).
-
(1995)
Biochemistry
, vol.34
, pp. 7967
-
-
Baciou, L.1
Michel, H.2
-
6
-
-
33847799412
-
-
See, for example, D.M. Blow, Acc. Chem. Res. 9, 145 (1976): G. Zundel, J. Mol. Struct. 177, 43 (1988).
-
(1976)
Acc. Chem. Res.
, vol.9
, pp. 145
-
-
Blow, D.M.1
-
7
-
-
0343503625
-
-
See, for example, D.M. Blow, Acc. Chem. Res. 9, 145 (1976): G. Zundel, J. Mol. Struct. 177, 43 (1988).
-
(1988)
J. Mol. Struct.
, vol.177
, pp. 43
-
-
Zundel, G.1
-
8
-
-
0028300618
-
-
See. for example, S. Ramaswamy, H. Eklund, and B.V. Plapp, Biochemistry 33, 5230 (1994).
-
(1994)
Biochemistry
, vol.33
, pp. 5230
-
-
Ramaswamy, S.1
Eklund, H.2
Plapp, B.V.3
-
9
-
-
0028338561
-
-
See. for example, S. Taoka, C. Tu, K.A. Kistler, and D.N. Silverman, J. Biol. Chem. 269, 17988 (1994); X. Ren, C. Tu, P.J. Laipis, and D.N. Silverman, Biochemistry 34, 8492 (1995).
-
(1994)
J. Biol. Chem.
, vol.269
, pp. 17988
-
-
Taoka, S.1
Tu, C.2
Kistler, K.A.3
Silverman, D.N.4
-
10
-
-
0029077909
-
-
See. for example, S. Taoka, C. Tu, K.A. Kistler, and D.N. Silverman, J. Biol. Chem. 269, 17988 (1994); X. Ren, C. Tu, P.J. Laipis, and D.N. Silverman, Biochemistry 34, 8492 (1995).
-
(1995)
Biochemistry
, vol.34
, pp. 8492
-
-
Ren, X.1
Tu, C.2
Laipis, P.J.3
Silverman, D.N.4
-
15
-
-
0041642741
-
-
Initial mixed quantum/classical molecular dynamics simulations of proton transfer reactions in solution were performed in A. Warshel and Z.T. Chu, J. Chem. Phys. 93, 4003 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 4003
-
-
Warshel, A.1
Chu, Z.T.2
-
17
-
-
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
-
18
-
-
0001323710
-
-
D. Borgis, G. Tarjus, and H. Azzouz, J. Phys. Chem. 96, 3188 (1992); J. Chem. Phys. 97, 1390 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 3188
-
-
Borgis, D.1
Tarjus, G.2
Azzouz, H.3
-
19
-
-
36449006287
-
-
D. Borgis, G. Tarjus, and H. Azzouz, J. Phys. Chem. 96, 3188 (1992); J. Chem. Phys. 97, 1390 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1390
-
-
-
20
-
-
0000026701
-
-
D. Laria, G. Ciccotti, M. Ferrario, and R. Kapral, J. Chem. Phys. 97, 378 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 378
-
-
Laria, D.1
Ciccotti, G.2
Ferrario, M.3
Kapral, R.4
-
21
-
-
45249125423
-
-
D.C. Borgis, S. Lee, and J.T. Hynes, Chem. Phys. Lett. 162, 19 (1989); D. Borgis and J.T. Hynes, J. Chem. Phys. 94, 3619 (1991); Chem. Phys. 170, 315 (1993).
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 19
-
-
Borgis, D.C.1
Lee, S.2
Hynes, J.T.3
-
22
-
-
5544259571
-
-
D.C. Borgis, S. Lee, and J.T. Hynes, Chem. Phys. Lett. 162, 19 (1989); D. Borgis and J.T. Hynes, J. Chem. Phys. 94, 3619 (1991); Chem. Phys. 170, 315 (1993).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 3619
-
-
Borgis, D.1
Hynes, J.T.2
-
23
-
-
0346725553
-
-
D.C. Borgis, S. Lee, and J.T. Hynes, Chem. Phys. Lett. 162, 19 (1989); D. Borgis and J.T. Hynes, J. Chem. Phys. 94, 3619 (1991); Chem. Phys. 170, 315 (1993).
-
(1993)
Chem. Phys.
, vol.170
, pp. 315
-
-
-
24
-
-
0000321633
-
-
H.J.C. Berendsen and J. Mavri, J. Phys. Chem. 97, 13464 (1993); J. Mavri, H.J.C. Berendsen, and W.F. van Gunsteren, ibid. 97, 13469 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13464
-
-
Berendsen, H.J.C.1
Mavri, J.2
-
25
-
-
33751385143
-
-
H.J.C. Berendsen and J. Mavri, J. Phys. Chem. 97, 13464 (1993); J. Mavri, H.J.C. Berendsen, and W.F. van Gunsteren, ibid. 97, 13469 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13469
-
-
Mavri, J.1
Berendsen, H.J.C.2
Van Gunsteren, W.F.3
-
27
-
-
27844452636
-
-
A, Staib, D. Borgis, and J.T. Hynes, J. Chem. Phys. 102, 2487 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2487
-
-
Staib, A.1
Borgis, D.2
Hynes, J.T.3
-
31
-
-
33748659289
-
-
P. Bala, P. Grochowski, B. Lesyng, and J.A. McCammon, J. Phys. Chem. 100, 2535 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2535
-
-
Bala, P.1
Grochowski, P.2
Lesyng, B.3
McCammon, J.A.4
-
33
-
-
0040193886
-
-
J.K. Hwang, Z.T. Chu, A. Yadav, and A. Warshel, J. Phys. Chem. 95, 8445 (1991); J.-K. Hwang and A. Warshel, ibid. 97, 10053 (1993).
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 8445
-
-
Hwang, J.K.1
Chu, Z.T.2
Yadav, A.3
Warshel, A.4
-
34
-
-
33751386561
-
-
J.K. Hwang, Z.T. Chu, A. Yadav, and A. Warshel, J. Phys. Chem. 95, 8445 (1991); J.-K. Hwang and A. Warshel, ibid. 97, 10053 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10053
-
-
Hwang, J.-K.1
Warshel, A.2
-
36
-
-
36449003037
-
-
J. Lobaugh and G.A. Voth, Chem. Phys. Lett. 198, 311 (1992); J. Chem. Phys. 100, 3039 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 3039
-
-
-
39
-
-
33748662705
-
-
R. Pomès and B. Roux, Chem. Phys. Lett. 234, 416 (1995); J. Phys. Chem. 100, 2519 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2519
-
-
-
40
-
-
36449000739
-
-
J. Cao and G.A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157, 6168 (1994).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 10070
-
-
Cao, J.1
Voth, G.A.2
-
41
-
-
36449006832
-
-
J. Cao and G.A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157, 6168 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5106
-
-
-
42
-
-
36449001194
-
-
J. Cao and G.A. Voth, J. Chem. Phys. 99, 10070 (1993); 100, 5106 (1994); 101, 6157, 6168 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6157
-
-
-
47
-
-
1542382717
-
-
Early discussions of surface crossing approaches for chemical reactions are found in Ref. 8 and in the following: A. Warshel and J.-K. Hwang, J. Chem. Phys. 84, 4938 (1986); J.-K. Hwang and A. Warshel, J. Am. Chem. Soc. 109, 715 (1987).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4938
-
-
Warshel, A.1
Hwang, J.-K.2
-
48
-
-
33845282688
-
-
Early discussions of surface crossing approaches for chemical reactions are found in Ref. 8 and in the following: A. Warshel and J.-K. Hwang, J. Chem. Phys. 84, 4938 (1986); J.-K. Hwang and A. Warshel, J. Am. Chem. Soc. 109, 715 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 715
-
-
Hwang, J.-K.1
Warshel, A.2
-
49
-
-
36749114316
-
-
R.B. Gerber, V. Buch, and M.A. Ratner, J. Chem. Phys. 77, 3022 (1982); R.B. Gerber and M.A. Ratner, J. Phys. Chem. 92, 3252 (1988).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3022
-
-
Gerber, R.B.1
Buch, V.2
Ratner, M.A.3
-
50
-
-
0000566869
-
-
R.B. Gerber, V. Buch, and M.A. Ratner, J. Chem. Phys. 77, 3022 (1982); R.B. Gerber and M.A. Ratner, J. Phys. Chem. 92, 3252 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3252
-
-
Gerber, R.B.1
Ratner, M.A.2
-
52
-
-
0000331613
-
-
R. Alimi, R.B. Gerber, A.D. Hammerich, R. Kosloff, and M.A. Rainer, J. Chem. Phys. 93, 6484 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 6484
-
-
Alimi, R.1
Gerber, R.B.2
Hammerich, A.D.3
Kosloff, R.4
Rainer, M.A.5
-
53
-
-
0000586826
-
-
A. García-Vela, R.B. Gerber, and D.G. Imre, J. Chem. Phys. 97, 7242 (1992): A. García-Vela, R.B. Gerber, and J.J. Valentini, ibid. 97, 3297 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7242
-
-
García-Vela, A.1
Gerber, R.B.2
Imre, D.G.3
-
54
-
-
0001503553
-
-
A. García-Vela, R.B. Gerber, and D.G. Imre, J. Chem. Phys. 97, 7242 (1992): A. García-Vela, R.B. Gerber, and J.J. Valentini, ibid. 97, 3297 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 3297
-
-
García-Vela, A.1
Gerber, R.B.2
Valentini, J.J.3
-
58
-
-
0002053823
-
-
H.-D. Meyer, U. Manthe, and L.S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990); U. Manthe, H.-D. Meyer, and L.S. Cederbaum, J. Chem. Phys. 97, 3199, 9062 (1992).
-
(1990)
Chem. Phys. Lett.
, vol.165
, pp. 73
-
-
Meyer, H.-D.1
Manthe, U.2
Cederbaum, L.S.3
-
59
-
-
0000365823
-
-
H.-D. Meyer, U. Manthe, and L.S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990); U. Manthe, H.-D. Meyer, and L.S. Cederbaum, J. Chem. Phys. 97, 3199, 9062 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 3199
-
-
Manthe, U.1
Meyer, H.-D.2
Cederbaum, L.S.3
-
64
-
-
0028529524
-
-
A.D. Hammerich, U. Manthe, R. Kosloff, H.-D. Meyer, and L.S. Cederbaum, J. Chem. Phys. 101, 5623 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5623
-
-
Hammerich, A.D.1
Manthe, U.2
Kosloff, R.3
Meyer, H.-D.4
Cederbaum, L.S.5
-
65
-
-
33645820282
-
-
J.-Y. Fang and H. Guo, J. Chem. Phys. 101, 5831 (1994); L. Liu, J.-Y. Fang, and H. Guo, ibid. 102, 2404 (1995); J.-Y. Fang and H. Guo, ibid. 102, 1944 (1995).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5831
-
-
Fang, J.-Y.1
Guo, H.2
-
66
-
-
36449002961
-
-
J.-Y. Fang and H. Guo, J. Chem. Phys. 101, 5831 (1994); L. Liu, J.-Y. Fang, and H. Guo, ibid. 102, 2404 (1995); J.-Y. Fang and H. Guo, ibid. 102, 1944 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2404
-
-
Liu, L.1
Fang, J.-Y.2
Guo, H.3
-
67
-
-
36449007328
-
-
J.-Y. Fang and H. Guo, J. Chem. Phys. 101, 5831 (1994); L. Liu, J.-Y. Fang, and H. Guo, ibid. 102, 2404 (1995); J.-Y. Fang and H. Guo, ibid. 102, 1944 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 1944
-
-
Fang, J.-Y.1
Guo, H.2
-
69
-
-
0001742280
-
-
J. Campos-Martínez and R.D. Coalson, J. Chem. Phys. 93, 4740 (1990); J. Campos-Martínez, J.R. Waldeck, and R.D. Coalson, ibid. 96, 3613 (1992).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 4740
-
-
Campos-Martínez, J.1
Coalson, R.D.2
-
70
-
-
33749091924
-
-
J. Campos-Martínez and R.D. Coalson, J. Chem. Phys. 93, 4740 (1990); J. Campos-Martínez, J.R. Waldeck, and R.D. Coalson, ibid. 96, 3613 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 3613
-
-
Campos-Martínez, J.1
Waldeck, J.R.2
Coalson, R.D.3
-
76
-
-
0001471474
-
-
J.R. Stine and J.T. Muckerman. J. Chem. Phys. 65, 3975 (1976); 68, 185 (1978); J. Phys. Chem. 91, 459 (1987).
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 185
-
-
-
77
-
-
26444541056
-
-
J.R. Stine and J.T. Muckerman. J. Chem. Phys. 65, 3975 (1976); 68, 185 (1978); J. Phys. Chem. 91, 459 (1987).
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 459
-
-
-
78
-
-
33751052200
-
-
N.C. Biais and D.O. Truhlar, J. Chem. Phys. 79, 1334 (1983); N.C. Blais, D.G. Truhlar, and C.A. Mead. ibid. 89, 6204 (1988).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 1334
-
-
Biais, N.C.1
Truhlar, D.O.2
-
79
-
-
36549094874
-
-
N.C. Biais and D.O. Truhlar, J. Chem. Phys. 79, 1334 (1983); N.C. Blais, D.G. Truhlar, and C.A. Mead. ibid. 89, 6204 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 6204
-
-
Blais, N.C.1
Truhlar, D.G.2
Mead, C.A.3
-
85
-
-
0001245214
-
-
P.J. Kuntz, J. Chem. Phys. 95, 141 (1991); P.J. Kuntz and J.J. Hogreve, ibid. 95, 156 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 141
-
-
Kuntz, P.J.1
-
88
-
-
4243952742
-
-
F.J. Webster, J. Schnitker, M.S. Friedrichs, R.A. Friesner, and P.J. Rossky, Phys. Rev. Lett. 66, 3172 (1991).
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 3172
-
-
Webster, F.J.1
Schnitker, J.2
Friedrichs, M.S.3
Friesner, R.A.4
Rossky, P.J.5
-
90
-
-
0000593564
-
-
B. Space and D.F. Coker, J. Chem. Phys. 94, 1976 (1991); ibid. 96, 652 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 652
-
-
-
91
-
-
0002627110
-
-
edited by M.P. Allen and D.J. Tildesley Kluwer Academic, Dordrecht.
-
D.F. Coker, in Computer Simulation in Chemical Physics, edited by M.P. Allen and D.J. Tildesley (Kluwer Academic, Dordrecht. 1993), pp. 315-377.
-
(1993)
Computer Simulation in Chemical Physics
, pp. 315-377
-
-
Coker, D.F.1
-
92
-
-
36448999802
-
-
F. Webster, E.T. Wang, P.J. Rossky, and R.A. Friesner, J. Chem. Phys. 100, 4835 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4835
-
-
Webster, F.1
Wang, E.T.2
Rossky, P.J.3
Friesner, R.A.4
-
93
-
-
21344491851
-
-
M.F. Herman and J.C. Arce, Chem. Phys. 183, 335 (1994); J.C. Arce and M.F. Herman, J. Chem. Phys. 101, 7520 (1994).
-
(1994)
Chem. Phys.
, vol.183
, pp. 335
-
-
Herman, M.F.1
Arce, J.C.2
-
94
-
-
36449000819
-
-
M.F. Herman and J.C. Arce, Chem. Phys. 183, 335 (1994); J.C. Arce and M.F. Herman, J. Chem. Phys. 101, 7520 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7520
-
-
Arce, J.C.1
Herman, M.F.2
-
98
-
-
0003474751
-
-
Cambridge University Press, Cambridge
-
W.H. Press, B.P. Flannery, S.A. Teukolsky, and W.T. Vetterling, Numerical Recipes in C (Cambridge University Press, Cambridge, 1988), pp. 112-123.
-
(1988)
Numerical Recipes in C
, pp. 112-123
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
|