-
2
-
-
0347193736
-
-
and references therein
-
For reviews, see, P. Hänggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys. 62, 251 (1990), and references therein.
-
(1990)
Rev. Mod. Phys.
, vol.62
, pp. 251
-
-
Hänggi, P.1
Talkner, P.2
Borkovec, M.3
-
3
-
-
0000925532
-
-
edited by M. Baer CRC, Boca Raton, FL
-
J. T. Hynes, in Tlieory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, FL, 1985), p. 171.
-
(1985)
Tlieory of Chemical Reaction Dynamics
, pp. 171
-
-
Hynes, J.T.1
-
4
-
-
33751128029
-
-
J. P. Bergsma, B. J. Gertner, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 86, 1356 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 1356
-
-
Bergsma, J.P.1
Gertner, B.J.2
Wilson, K.R.3
Hynes, J.T.4
-
6
-
-
0001508014
-
-
B. J. Gertner, J. P. Bergsma, K. R. Wilson, S. Lee, and J. T. Hynes, J. Chem. Phys. 86, 1377 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 1377
-
-
Gertner, B.J.1
Bergsma, J.P.2
Wilson, K.R.3
Lee, S.4
Hynes, J.T.5
-
9
-
-
33748274620
-
-
Gertner et al. (Refs. 4-6) had discussed in the context of the GH theory by regarding the ES rate constant as the "TST" rate constant. Several studies, however, demonstrated that the GH theory is equivalent to the TST in the full solute-solvent space, and the "TST" rate constant stated in their paper should correspond to the rate constant in the overdamped regime of activated dynamics. The discussion is given in Refs. 17, 33, and 54. See also, G. van der Zwan, and J. T. Hynes, J. Chem. Phys. 78, 4174 (1983);
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4174
-
-
Van Der Zwan, G.1
Hynes, J.T.2
-
10
-
-
0010996195
-
-
Chem. Phys. 90, 21 (1984).
-
(1984)
Chem. Phys.
, vol.90
, pp. 21
-
-
-
13
-
-
0041457256
-
-
J. Chem. Phys. 101,7174 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7174
-
-
-
22
-
-
0001215706
-
-
J. Am. Chem. Soc. 106, 3049 (1984).
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 3049
-
-
-
23
-
-
0001806771
-
-
B. J. Gertner, R. M. Whitnell, K. R. Wilson, and J. T. Hynes, J. Am. Chem. Soc. 113, 74 (1991).
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 74
-
-
Gertner, B.J.1
Whitnell, R.M.2
Wilson, K.R.3
Hynes, J.T.4
-
24
-
-
0029637659
-
-
L. W. Flanagin, P. B. Balbuena, K. P. Johnston, and P. J. Rossky, J. Phys. Chem. 99, 5196 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5196
-
-
Flanagin, L.W.1
Balbuena, P.B.2
Johnston, K.P.3
Rossky, P.J.4
-
26
-
-
33751156916
-
-
J. Phys. Chem. 99, 1554 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1554
-
-
-
27
-
-
0041600218
-
-
J.-K. Hwang, G. King, S. Creighton, and A. Warshel, J. Am. Chem. Soc. 110,5297(1988).
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5297
-
-
Hwang, J.-K.1
King, G.2
Creighton, S.3
Warshel, A.4
-
32
-
-
0025168249
-
-
J. Am. Chem! Soc. 112, 3338 (1990).
-
(1990)
J. Am. Chem! Soc.
, vol.112
, pp. 3338
-
-
-
37
-
-
0000722421
-
-
and references cited therein
-
H. Wang and W. L. Hase, J. Am. Chem. Soc. 117, 9347 (1995), and references cited therein.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 9347
-
-
Wang, H.1
Hase, W.L.2
-
39
-
-
33646062800
-
-
Dissertation, Kyoto University
-
Y. Okuno, Dissertation, Kyoto University, 1992.
-
(1992)
-
-
Okuno, Y.1
-
41
-
-
0003651195
-
-
Prentice-Hall, New York, and references cited therein
-
J. I. Steinfeld, J. S. Francisco, and W. L. Hase, Chemical Kinetics and Dynamics (Prentice-Hall, New York, 1989), and references cited therein.
-
(1989)
Chemical Kinetics and Dynamics
-
-
Steinfeld, J.I.1
Francisco, J.S.2
Hase, W.L.3
-
42
-
-
0003853361
-
-
edited by P. Pulay and H. F. Schaefer III Plenum, New York
-
Modem Theoretical Chemistry, edited by P. Pulay and H. F. Schaefer III (Plenum, New York, 1977).
-
(1977)
Modem Theoretical Chemistry
-
-
-
43
-
-
84884501597
-
-
Gaussian, Inc., Pittsburgh
-
OAUSSIAN 92, Revision A, M. J. Frish, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian, Inc., Pittsburgh, 1992.
-
(1992)
OAUSSIAN 92, Revision a
-
-
Frish, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
44
-
-
0003399528
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P. R. Schleyer, and J. A. Pople, Ab Initia Molecular Orbital Theory (Wiley, New York, 1986).
-
(1986)
Ab Initia Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.R.3
Pople, J.A.4
-
48
-
-
0342581370
-
-
H. Kistenmacher, H, Popie, and E. démenti, J. Chem. Phys. 61, 799 (1974).
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 799
-
-
Kistenmacher, H.1
Popie, H.2
Démenti, E.3
-
53
-
-
0000792068
-
-
J. Am. Chem. Soc. 106, 3447 (1984).
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 3447
-
-
-
55
-
-
36549092405
-
-
J. P. Bergsma, J. R. Reimers, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 85, 5625 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 5625
-
-
Bergsma, J.P.1
Reimers, J.R.2
Wilson, K.R.3
Hynes, J.T.4
-
57
-
-
0001281880
-
-
J. Phys. Chem. 95, 3334 (1991);
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 3334
-
-
-
60
-
-
33646043393
-
-
C. Cameron, P. P. S. Saluja, M. A. Floriano, and E. Whalley, J. Phys. Chem. 92, 3417 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3417
-
-
Cameron, C.1
Saluja, P.P.S.2
Floriano, M.A.3
Whalley, E.4
-
61
-
-
33646023323
-
-
note
-
Although Cameron et al. (Réf. 50) had explained the relation between the rate constant and the pressure on the basis of activation volume, Sumi et al. (Ref. 49) demonstrated that the relation may be understood by assuming solvent-fluctuation control.
-
-
-
-
63
-
-
33646028413
-
-
in preparation
-
Y. Okuno (in preparation).
-
-
-
Okuno, Y.1
-
65
-
-
36549095220
-
-
J. Chem. Phys. 86, 3944 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 3944
-
-
-
66
-
-
33646019502
-
-
The frictional effects for the nonreactive modes in the solute coordinates are expected to promote the reaction progress. The discussion is given in Refs. 34 and 56.
-
The frictional effects for the nonreactive modes in the solute coordinates are expected to promote the reaction progress. The discussion is given in Refs. 34 and 56.
-
-
-
-
67
-
-
84987108901
-
-
M. Nagaoka, Y. Okuno, N. Yoshida, and T. Yamabe, Int. J. Quantum Chem. 51, 519 (1994).
-
(1994)
Int. J. Quantum Chem.
, vol.51
, pp. 519
-
-
Nagaoka, M.1
Okuno, Y.2
Yoshida, N.3
Yamabe, T.4
|