-
2
-
-
0003082546
-
-
For matrix spectroscopy of alcohol oligomers, see M. van Thiel, E. D. Becker, and G. C. Pimentel, J. Chem. Phys. 27, 95 (1957).
-
(1957)
J. Chem. Phys.
, vol.27
, pp. 95
-
-
Van Thiel, M.1
Becker, E.D.2
Pimentel, G.C.3
-
11
-
-
0003199510
-
-
For electric structure calculations of isolated methanol dimers and trimers, see, f.e., A. Karpfen and P. Schuster, Can. J. Chem. 63, 809 (1985); M. C. Shivaglal and S. Singh, Int. J. Quantum Chem. 36, 105 (1989); E. H. S. Anwander, M.M. Probst, and B. M. Rode, Chem. Phys. 166, 341 (1992).
-
(1985)
Can. J. Chem.
, vol.63
, pp. 809
-
-
Karpfen, A.1
Schuster, P.2
-
12
-
-
84990716066
-
-
For electric structure calculations of isolated methanol dimers and trimers, see, f.e., A. Karpfen and P. Schuster, Can. J. Chem. 63, 809 (1985); M. C. Shivaglal and S. Singh, Int. J. Quantum Chem. 36, 105 (1989); E. H. S. Anwander, M.M. Probst, and B. M. Rode, Chem. Phys. 166, 341 (1992).
-
(1989)
Int. J. Quantum Chem.
, vol.36
, pp. 105
-
-
Shivaglal, M.C.1
Singh, S.2
-
13
-
-
19644366214
-
-
For electric structure calculations of isolated methanol dimers and trimers, see, f.e., A. Karpfen and P. Schuster, Can. J. Chem. 63, 809 (1985); M. C. Shivaglal and S. Singh, Int. J. Quantum Chem. 36, 105 (1989); E. H. S. Anwander, M.M. Probst, and B. M. Rode, Chem. Phys. 166, 341 (1992).
-
(1992)
Chem. Phys.
, vol.166
, pp. 341
-
-
Anwander, E.H.S.1
Probst, M.M.2
Rode, B.M.3
-
16
-
-
0004003691
-
-
Dover, New York, Chap. 4
-
Prescriptions for transforming a set of chosen vibrational coordinates into Cartesian atomic coordinates are given in E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations (Dover, New York, 1955), Chap. 4.
-
(1955)
Molecular Vibrations
-
-
Wilson, E.B.1
Decius, J.C.2
Cross, P.C.3
-
21
-
-
0003758310
-
-
McGraw-Hill, Singapore, Chap. 12
-
L. I. Schiff, Quantum Mechanics (McGraw-Hill, Singapore, 1987), Chap. 12.
-
(1987)
Quantum Mechanics
-
-
Schiff, L.I.1
-
27
-
-
70349464599
-
-
P. W. Anderson, J. Phys. Soc. Jpn. 9, 316 (1954); R. Kubo, ibid. 9, 935 (1954).
-
(1954)
J. Phys. Soc. Jpn.
, vol.9
, pp. 935
-
-
Kubo, R.1
-
32
-
-
13044304431
-
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990); F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1061
-
-
Tully, J.C.1
-
33
-
-
0026103656
-
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990); F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991).
-
(1991)
Comput. Phys. Commun.
, vol.63
, pp. 494
-
-
Webster, F.1
Rossky, P.J.2
Friesner, R.A.3
-
38
-
-
0001115796
-
-
E. J. Heilweil, M. P. Casassa, R. R. Cavanagh, and J. C. Stephenson, J. Chem. Phys. 85, 5004 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 5004
-
-
Heilweil, E.J.1
Casassa, M.P.2
Cavanagh, R.R.3
Stephenson, J.C.4
-
40
-
-
85034480496
-
-
note
-
The positions of the band maxima differ slightly from values found previously with the same model (Ref. 13), because the present results have been evaluated from a much longer trajectory (100 ps).
-
-
-
-
42
-
-
0031211940
-
-
4 the lifetime of the first excited OH stretch level of about 8 ps was found. See, R. Laenen and C. Rauscher, Chem. Phys. Lett. 274, 63 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.274
, pp. 63
-
-
Laenen, R.1
Rauscher, C.2
-
44
-
-
85034476330
-
-
note
-
Perturbation theory for nonadiabatic transitions reaches the limit of its validity for nearly degenerate energy levels. The method of choice in this case is direct nonadiabatic quantum MD (Ref. 29) which is currently adapted to the model used here. Note also, that the exponential time constant of donor-acceptor exchange is increased to 3.5 ps upon excitation of the donor OH stretch mode.
-
-
-
|