-
4
-
-
0002729349
-
-
(d) DeBoeij, W. P.; Pshenichnikov, M. S.; Weirsma, D. A. Annu. Rev. Phys. Chem. 1998, 49, 99.
-
(1998)
Annu. Rev. Phys. Chem.
, vol.49
, pp. 99
-
-
DeBoeij, W.P.1
Pshenichnikov, M.S.2
Weirsma, D.A.3
-
13
-
-
0033737139
-
-
Aherne, D.; Tran, V.; Schwartz, B. J. J. Phys. Chem. B 2000, 104 (22), 5382.
-
(2000)
J. Phys. Chem. B
, vol.104
, Issue.22
, pp. 5382
-
-
Aherne, D.1
Tran, V.2
Schwartz, B.J.3
-
15
-
-
0000747338
-
-
Yamaguchi, T.; Kimura, Y.; Hirota, N. J. Chem. Phys. 1999, 111, 4169.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 4169
-
-
Yamaguchi, T.1
Kimura, Y.2
Hirota, N.3
-
17
-
-
0037326643
-
-
Nishiyama, K.; Hirata, F.; Okada, T. J. Chem. Phys. 2003, 118 (5), 2279.
-
(2003)
J. Chem. Phys.
, vol.118
, Issue.5
, pp. 2279
-
-
Nishiyama, K.1
Hirata, F.2
Okada, T.3
-
18
-
-
0037913022
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-
note
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Standard deviations for C(t) were calculated by breaking up the 200 ps equilibrium simulation into 126 10 ps blocks with each starting point separated by 1.5 ps. These blocks were correlated as per eq 2 and then averaged.
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-
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19
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0038250532
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note
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The excited-state equilibrium enery gap. ΔE(∞), is used to normalize S(t). The dashed curve in Figure 1 and the data in Figures 2 and 4 are normalized to the average energy gap between 7 and 12 ps. The dotted curve in Figure 1 is normalized to the average between 2 and 3 ps.
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20
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0037574964
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note
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The response curves in Figure 1 are not identical, but they do possess similar early and long-time features. Despite the small deviations, one might expect the underlying dynamics to be very similar, implying LR.
-
-
-
-
22
-
-
0011130461
-
-
Steele, W. A. Mol. Phys. 1987, 61 (4), 1031.
-
(1987)
Mol. Phys.
, vol.61
, Issue.4
, pp. 1031
-
-
Steele, W.A.1
-
25
-
-
0038250533
-
-
note
-
trans(t) refers to the sum of the center of mass translations.
-
-
-
-
28
-
-
0001761172
-
-
Ma, J.; Vanden Bout, D. A.; Berg, M. J. Chem. Phys. 1995, 103, 9146.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 9146
-
-
Ma, J.1
Vanden Bout, D.A.2
Berg, M.3
-
29
-
-
0001672771
-
-
Ciccotti, G.; Ferrario, M.; Ryckaert, J.-P. Mol. Phys. 1982, 47 (6), 1253.
-
(1982)
Mol. Phys.
, vol.47
, Issue.6
, pp. 1253
-
-
Ciccotti, G.1
Ferrario, M.2
Ryckaert, J.-P.3
-
31
-
-
0033727121
-
-
(a) Barthel, E. R.; Martini, I. B.; Schwartz, B. J J. Chem. Phys. 2000, 112 (21), 9433.
-
(2000)
J. Chem. Phys.
, vol.112
, Issue.21
, pp. 9433
-
-
Barthel, E.R.1
Martini, I.B.2
Schwartz, B.J.3
-
32
-
-
0034504127
-
-
(b) Martini, I. B.; Barthel, E. R.; Schwartz, B. J J. Chem. Phys. 2000, 113 (24), 11245.
-
(2000)
J. Chem. Phys.
, vol.113
, Issue.24
, pp. 11245
-
-
Martini, I.B.1
Barthel, E.R.2
Schwartz, B.J.3
-
33
-
-
0035857203
-
-
(c) Barthel, E. R.; Martini, I. B.; Schwartz, B. J. J. Phys. Chem. B 2001, 105 (49), 11230.
-
(2001)
J. Phys. Chem. B
, vol.105
, Issue.49
, pp. 11230
-
-
Barthel, E.R.1
Martini, I.B.2
Schwartz, B.J.3
-
34
-
-
0037178099
-
-
Martini, I. B.; Barthel, E. R.; Schwartz, B. J. J. Am. Chem. Soc. 2002, 124 (25), 7622.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, Issue.25
, pp. 7622
-
-
Martini, I.B.1
Barthel, E.R.2
Schwartz, B.J.3
-
35
-
-
0005839106
-
-
Chekmarev, D.; Zhao, M.; Rice, S. A. J. Chem. Phys. 1998, 109 (2), 768.
-
(1998)
J. Chem. Phys.
, vol.109
, Issue.2
, pp. 768
-
-
Chekmarev, D.1
Zhao, M.2
Rice, S.A.3
-
36
-
-
4243926632
-
-
Dawes, S. B.; Ward, D. L.; Fussa-Rydel, O.; Huang, R.-H.; Dye, J. L. Inorg. Chem. 1989, 28, 2.
-
(1989)
Inorg. Chem.
, vol.28
, pp. 2
-
-
Dawes, S.B.1
Ward, D.L.2
Fussa-Rydel, O.3
Huang, R.-H.4
Dye, J.L.5
-
37
-
-
0037913026
-
-
Pyper, N. C.; Pike, C. G.; Edwards, P. P. J. Am. Chem. Soc. 1993, 115, 1468.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1468
-
-
Pyper, N.C.1
Pike, C.G.2
Edwards, P.P.3
-
39
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0037574967
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note
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We picked configurations from the ground-state (anion) equilibrium trajectory with an average separation of ∼1 ps and with a minimum separation of 0.5 ps.
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