-
1
-
-
67049160622
-
-
Ingrosso, F.; Rey, R.; Elsaesser, T.; Hynes, J. T. J. Phys. Chem. A, 2009, 113, 6657.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 6657
-
-
Ingrosso, F.1
Rey, R.2
Elsaesser, T.3
Hynes, J.T.4
-
2
-
-
33646827833
-
-
Ashihara, S.; Huse, N.; Nibbering, E. T. J.; Elsaesser, T. Chem. Phys. Lett. 2006, 424, 66.
-
(2006)
Chem. Phys. Lett
, vol.424
, pp. 66
-
-
Ashihara, S.1
Huse, N.2
Nibbering, E.T.J.3
Elsaesser, T.4
-
3
-
-
14844331789
-
-
Huse, N.; Ashihara, S.; Nibbering, E. T. J.; Elsaesser, T. Chem. Phys. Lett. 2005, 404, 389.
-
(2005)
Chem. Phys. Lett
, vol.404
, pp. 389
-
-
Huse, N.1
Ashihara, S.2
Nibbering, E.T.J.3
Elsaesser, T.4
-
4
-
-
33645851966
-
-
Lindner, J.; Vohringer, P.; Pshenichnikov, M. S.; Cringus, D.; Wiersma, D. A.; Mostovoy, M. Chem. Phys. Lett. 2006, 421, 329.
-
(2006)
Chem. Phys. Lett
, vol.421
, pp. 329
-
-
Lindner, J.1
Vohringer, P.2
Pshenichnikov, M.S.3
Cringus, D.4
Wiersma, D.A.5
Mostovoy, M.6
-
5
-
-
35748977406
-
-
Lindner, J.; Cringen, D.; Pshenichnikov, M. S.; Vohringer, P. Chem. Phys. 2007, 341, 326.
-
(2007)
Chem. Phys
, vol.341
, pp. 326
-
-
Lindner, J.1
Cringen, D.2
Pshenichnikov, M.S.3
Vohringer, P.4
-
7
-
-
35748969110
-
-
These references deal with a bend-librational combination band
-
Chieffo, L.; Shattuck, J.; Amsden, J. J.; Eramilli, S.; Ziegler, L. D. Chem. Phys. 2007, 341, 71. These references deal with a bend-librational combination band.
-
(2007)
Chem. Phys
, vol.341
, pp. 71
-
-
Chieffo, L.1
Shattuck, J.2
Amsden, J.J.3
Eramilli, S.4
Ziegler, L.D.5
-
8
-
-
0142106447
-
-
Raman experiments yield a longer time -1.4 ps; Pakoulev, A.; Wang, Z.; Pang, Y.; Dlott, D. D. Chem. Phys. Lett. 2003, 380, 404.
-
Raman experiments yield a longer time -1.4 ps; Pakoulev, A.; Wang, Z.; Pang, Y.; Dlott, D. D. Chem. Phys. Lett. 2003, 380, 404.
-
-
-
-
9
-
-
0038492095
-
-
Deàk, J. C.; Rhea, S. T.; Iwaki, L. K.; Dlott, D. D. J. Phys. Chem. A 2000, 104, 4866.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4866
-
-
Deàk, J.C.1
Rhea, S.T.2
Iwaki, L.K.3
Dlott, D.D.4
-
10
-
-
68149102768
-
-
This decay time of a librational excitation should be distinguished from the much longer timescale -1 ps on which a macroscopically heated ground state of the liquid is established by energy derealization over many water molecules.2,4,6
-
2,4,6
-
-
-
-
11
-
-
0001325106
-
-
Frederick, J. H.; McClelland, G. M.; Brumer, P. J. Chem. Phys. 1985, 83, 190.
-
(1985)
J. Chem. Phys
, vol.83
, pp. 190
-
-
Frederick, J.H.1
McClelland, G.M.2
Brumer, P.3
-
13
-
-
0003882080
-
-
Franks, F, Ed, Plenum: New York, Chapter 2
-
(a) Kern, C. W.; Karplus, M. In Water: A Comprehensive Treatise; Franks, F., Ed.; Plenum: New York, 1972; Vol. 1, Chapter 2.
-
(1972)
Water: A Comprehensive Treatise
, vol.1
-
-
Kern, C.W.1
Karplus, M.2
-
14
-
-
0000642967
-
-
(b) Berne, B. J.; Gordon, R. G.; Jortner, J. J. Chem. Phys. 1967, 47, 1600.
-
(1967)
J. Chem. Phys
, vol.47
, pp. 1600
-
-
Berne, B.J.1
Gordon, R.G.2
Jortner, J.3
-
15
-
-
0001479606
-
-
(a) Whitnell, R. M.; Wilson, K. R.; Hynes, J. T. J. Phys. Chem. 1990, 94, 8625.
-
(1990)
J. Phys. Chem
, vol.94
, pp. 8625
-
-
Whitnell, R.M.1
Wilson, K.R.2
Hynes, J.T.3
-
16
-
-
0012607756
-
-
(b) Whitnell, R. M.; Wilson, K. R.; Hynes, J. T. J. Chem. Phys. 1992, 96, 5354.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 5354
-
-
Whitnell, R.M.1
Wilson, K.R.2
Hynes, J.T.3
-
18
-
-
0001806771
-
-
The work formulation was previously employed in connection with chemical reactions in: Gertner, B. J.; Whitnell, R. M.; Wilson, K. R.; Hynes, J. T. J. Am. Chem. Soc. 1991, 113, 74.
-
The work formulation was previously employed in connection with chemical reactions in: Gertner, B. J.; Whitnell, R. M.; Wilson, K. R.; Hynes, J. T. J. Am. Chem. Soc. 1991, 113, 74.
-
-
-
-
19
-
-
0032540759
-
-
Heidelbach, C,; Schroeder, J.; Schwarzer, D.; Vikhrenko, V. S. Chem. Phys. Lett. 1998, 291, 333.
-
(1998)
Chem. Phys. Lett
, vol.291
, pp. 333
-
-
Heidelbach, C.1
Schroeder, J.2
Schwarzer, D.3
Vikhrenko, V.S.4
-
20
-
-
0001549187
-
-
Vikhrenko, V. S.; Heidelbach, C,; Schwarzer, D.; Nemtsov, V. B.; Schroeder, J. J. Chem. Phys. 1998, 110, 5273.
-
(1998)
J. Chem. Phys
, vol.110
, pp. 5273
-
-
Vikhrenko, V.S.1
Heidelbach, C.2
Schwarzer, D.3
Nemtsov, V.B.4
Schroeder, J.5
-
21
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem 1987, 91, 6269.
-
(1987)
J. Phys. Chem
, vol.91
, pp. 6269
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
22
-
-
0032371429
-
-
Rey, R. Chem. Phys. 1998, 229, 217.
-
(1998)
Chem. Phys
, vol.229
, pp. 217
-
-
Rey, R.1
-
25
-
-
33750587438
-
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
-
(1984)
J. Chem. Phys
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
26
-
-
33646940952
-
-
Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. Comp. Phys. 1977, 23, 327.
-
(1977)
Comp. Phys
, vol.23
, pp. 327
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
29
-
-
68149089237
-
-
The present results are well described at short times by a 270 fs relaxation time see below, This is the same time reported in I and will be used in the following discussion. We note though that for time intervals larger than 0.5 ps, a value of 300 fs provides a better fit. This small difference between the independent simulations reported here and I seems reasonable considering the different sampling of initial conditions and integration algorithms, providing an estimate of the statistical dispersion that might be expected
-
The present results are well described at short times by a 270 fs relaxation time (see below). This is the same time reported in I and will be used in the following discussion. We note though that for time intervals larger than 0.5 ps, a value of 300 fs provides a better fit. This small difference between the independent simulations reported here and I seems reasonable considering the different sampling of initial conditions and integration algorithms, providing an estimate of the statistical dispersion that might be expected.
-
-
-
-
33
-
-
68149146981
-
-
See ref 10a
-
See ref 10a.
-
-
-
-
34
-
-
68149174741
-
-
29 might well be instructive for these tcfs and their Fourier transforms.
-
29 might well be instructive for these tcfs and their Fourier transforms.
-
-
-
-
35
-
-
0005538815
-
-
Cho, M.; Fleming, G. R.; Saito, S.; Ohmine, I.; Stratt, R. M. J. Chem. Phys. 1994, 100, 6672.
-
(1994)
J. Chem. Phys
, vol.100
, pp. 6672
-
-
Cho, M.1
Fleming, G.R.2
Saito, S.3
Ohmine, I.4
Stratt, R.M.5
-
38
-
-
36549100114
-
-
Sibert, E. L., III.; Hynes, J. T.; Reinhardt, W. P. J. Chem. Phys. 1984, 81, 1135.
-
(1984)
J. Chem. Phys
, vol.81
, pp. 1135
-
-
Sibert III, E.L.1
Hynes, J.T.2
Reinhardt, W.P.3
-
39
-
-
36549095556
-
-
Sibert, E. L., III.; Reinhardt, W. P.; Hynes, J. T. J. Chem. Phys. 1984, 81, 1115.
-
(1984)
J. Chem. Phys
, vol.81
, pp. 1115
-
-
Sibert III, E.L.1
Reinhardt, W.P.2
Hynes, J.T.3
|