-
1
-
-
0343791207
-
-
0021-9606, 10.1063/1.445581
-
W. H. Miller, S. D. Schwartz, and J. W. Tromp, J. Chem. Phys. 0021-9606 79, 4889 (1983). 10.1063/1.445581
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 4889
-
-
Miller, W.H.1
Schwartz, S.D.2
Tromp, J.W.3
-
2
-
-
0001288690
-
-
0021-9606, 10.1063/1.454702
-
T. J. Park and J. C. Light, J. Chem. Phys. 0021-9606 88, 4897 (1988). 10.1063/1.454702
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 4897
-
-
Park, T.J.1
Light, J.C.2
-
4
-
-
0000898866
-
-
0021-9606, 10.1063/1.471302
-
D. H. Zhang and J. C. Light, J. Chem. Phys. 0021-9606 104, 6184 (1996). 10.1063/1.471302
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 6184
-
-
Zhang, D.H.1
Light, J.C.2
-
6
-
-
0036572651
-
Combining semiclassical time evolution and quantum boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems
-
DOI 10.1063/1.1464539
-
T. Yamamoto, H. Wang, and W. H. Miller, J. Chem. Phys. 0021-9606 116, 7335 (2002). 10.1063/1.1464539 (Pubitemid 34599049)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.17
, pp. 7335-7349
-
-
Yamamoto, T.1
Wang, H.2
Miller, W.H.3
-
7
-
-
33847698613
-
Chemical reaction rates using the semiclassical Van Vleck initial value representation
-
DOI 10.1063/1.2567200
-
C. Venkataraman and W. H. Miller, J. Chem. Phys. 0021-9606 126, 094104 (2007). 10.1063/1.2567200 (Pubitemid 46385618)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.9
, pp. 094104
-
-
Venkataraman, C.1
Miller, W.H.2
-
8
-
-
0042973847
-
-
0021-9991, 10.1016/0021-9991(82)90091-2
-
M. D. Feit, J. A. Fleck, Jr., and A. Steiger, J. Comput. Phys. 0021-9991 47, 412 (1982). 10.1016/0021-9991(82)90091-2
-
(1982)
J. Comput. Phys.
, vol.47
, pp. 412
-
-
Feit, M.D.1
Fleck Jr., J.A.2
Steiger, A.3
-
11
-
-
0003001699
-
Accurate reaction rate calculations including internal and rotational motion: A statistical multi-configurational time-dependent Hartree approach
-
DOI 10.1063/1.478128, PII S0021960698028487
-
F. Matzkies and U. Manthe, J. Chem. Phys. 0021-9606 110, 88 (1999). 10.1063/1.478128 (Pubitemid 129708029)
-
(1999)
Journal of Chemical Physics
, vol.110
, Issue.1
, pp. 88-96
-
-
Matzkies, F.1
Manthe, U.2
-
12
-
-
23944514543
-
-
0021-9606, 10.1063/1.430620
-
E. J. Heller, J. Chem. Phys. 0021-9606 62, 1544 (1975). 10.1063/1.430620
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 1544
-
-
Heller, E.J.1
-
13
-
-
36749113388
-
-
0021-9606, 10.1063/1.442382
-
E. J. Heller, J. Chem. Phys. 0021-9606 75, 2923 (1981). 10.1063/1.442382
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2923
-
-
Heller, E.J.1
-
15
-
-
4243938937
-
-
0301-0104, 10.1016/0301-0104(84)80039-7
-
M. F. Herman and E. Kluk, Chem. Phys. 0301-0104 91, 27 (1984). 10.1016/0301-0104(84)80039-7
-
(1984)
Chem. Phys.
, vol.91
, pp. 27
-
-
Herman, M.F.1
Kluk, E.2
-
16
-
-
36449004965
-
-
0021-9606, 10.1063/1.466320
-
K. G. Kay, J. Chem. Phys. 0021-9606 100, 4377 (1994). 10.1063/1.466320
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4377
-
-
Kay, K.G.1
-
17
-
-
0000517401
-
-
0021-9606, 10.1063/1.463502
-
M. Thachuk and G. C. Schatz, J. Chem. Phys. 0021-9606 97, 7297 (1992). 10.1063/1.463502
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7297
-
-
Thachuk, M.1
Schatz, G.C.2
-
18
-
-
0001779097
-
-
0009-2614, 10.1016/0009-2614(95)00605-4
-
F. Grossmann and E. J. Heller, Chem. Phys. Lett. 0009-2614 241, 45 (1995). 10.1016/0009-2614(95)00605-4
-
(1995)
Chem. Phys. Lett.
, vol.241
, pp. 45
-
-
Grossmann, F.1
Heller, E.J.2
-
20
-
-
0031189248
-
-
0021-9606, 10.1063/1.474353
-
E. Pollak, J. Chem. Phys. 0021-9606 107, 64 (1997). 10.1063/1.474353
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 64
-
-
Pollak, E.1
-
21
-
-
0032559085
-
-
0009-2614, 10.1016/S0009-2614(97)01236-0
-
U. Manthe and F. Matzkies, Chem. Phys. Lett. 0009-2614 282, 442 (1998). 10.1016/S0009-2614(97)01236-0
-
(1998)
Chem. Phys. Lett.
, vol.282
, pp. 442
-
-
Manthe, U.1
Matzkies, F.2
-
22
-
-
0000076059
-
-
0021-9606, 10.1063/1.475892
-
F. Matzkies and U. Manthe, J. Chem. Phys. 0021-9606 108, 4828 (1998). 10.1063/1.475892
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4828
-
-
Matzkies, F.1
Manthe, U.2
-
23
-
-
0035967409
-
2 reaction: Full-dimensional and reduced dimensionality rate constant calculations
-
DOI 10.1021/jp003579w
-
F. Huarte-Larraaga and U. Manthe, J. Phys. Chem. A 1089-5639 105, 2522 (2001). 10.1021/jp003579w (Pubitemid 35373115)
-
(2001)
Journal of Physical Chemistry A
, vol.105
, Issue.12
, pp. 2522-2529
-
-
Huarte-Larranaga, F.1
Manthe, U.2
-
25
-
-
34250913931
-
-
0044-3328
-
E. Madelung, Z. Phys. 0044-3328 40, 322 (1926).
-
(1926)
Z. Phys.
, vol.40
, pp. 322
-
-
Madelung, E.1
-
26
-
-
35948974968
-
-
0096-8250, 10.1103/PhysRev.85.166
-
D. Bohm, Phys. Rev. 0096-8250 85, 166 (1952). 10.1103/PhysRev.85.166
-
(1952)
Phys. Rev.
, vol.85
, pp. 166
-
-
Bohm, D.1
-
28
-
-
0141561835
-
-
0009-2614, 10.1016/S0009-2614(03)01008-X
-
S. Garashchuk and V. A. Rassolov, Chem. Phys. Lett. 0009-2614 376, 358 (2003). 10.1016/S0009-2614(03)01008-X
-
(2003)
Chem. Phys. Lett.
, vol.376
, pp. 358
-
-
Garashchuk, S.1
Rassolov, V.A.2
-
30
-
-
33745601178
-
2 system
-
DOI 10.1063/1.2208615
-
S. Garashchuk, V. A. Rassolov, and G. C. Schatz, J. Chem. Phys. 0021-9606 124, 244307 (2006). 10.1063/1.2208615 (Pubitemid 43993022)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.24
, pp. 244307
-
-
Garashchuk, S.1
Rassolov, V.A.2
Schatz, G.C.3
|