-
2
-
-
0000752452
-
-
M. N. Afsar and J. B. Hasted, J. Opt. Soc. Am. 67, 902 (1977); J. B. Hasted, S. K. Husain, F. A. M. Frescura, and J. R. Birch, Chem. Phys. Lett. 118, 622 (1985).
-
(1977)
J. Opt. Soc. Am.
, vol.67
, pp. 902
-
-
Afsar, M.N.1
Hasted, J.B.2
-
3
-
-
24244449060
-
-
M. N. Afsar and J. B. Hasted, J. Opt. Soc. Am. 67, 902 (1977); J. B. Hasted, S. K. Husain, F. A. M. Frescura, and J. R. Birch, Chem. Phys. Lett. 118, 622 (1985).
-
(1985)
Chem. Phys. Lett.
, vol.118
, pp. 622
-
-
Hasted, J.B.1
Husain, S.K.2
Frescura, F.A.M.3
Birch, J.R.4
-
7
-
-
0033534855
-
-
(b) K. Okada, M. Yao, Y. Hiejima, H. Kohno, and Y. Kajihara, ibid. 110, 3026 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 3026
-
-
Okada, K.1
Yao, M.2
Hiejima, Y.3
Kohno, H.4
Kajihara, Y.5
-
8
-
-
0010353743
-
-
(a) B. D. Bursulaya, J. Jeon, D. A. Zichi, and H. J. Kim, J. Chem. Phys. 108, 3286 (1998);
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3286
-
-
Bursulaya, B.D.1
Jeon, J.2
Zichi, D.A.3
Kim, H.J.4
-
10
-
-
0003879302
-
-
edited by L. R. Pratt and G. Hummer (AIP, Melville)
-
B. D. Bursulaya, J. Jeon, C.-N. Yang, D. A. Zichi, and H. J. Kim, in Simulation and Theory of Electrostatic Interactions in Solution, edited by L. R. Pratt and G. Hummer (AIP, Melville, 1999).
-
(1999)
Simulation and Theory of Electrostatic Interactions in Solution
-
-
Bursulaya, B.D.1
Jeon, J.2
Yang, C.-N.3
Zichi, D.A.4
Kim, H.J.5
-
12
-
-
0032606935
-
-
(b) 110, 9656 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 9656
-
-
-
14
-
-
0342705781
-
-
note
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(a) To check the dependence of our findings on the system size and potential model, we have also conducted test simulations with the nonpolarizable SPC model (Ref. 23) for 600 ps at 573 K, employing three different system sizes, 128, 256, and 512 molecules.
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15
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0343575897
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note
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(b) The test simulation results for the dielectric relaxation trend with density show a good agreement with TAB/10D and do not vary with the system size.
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19
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0342705779
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note
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This is the average duration of inertial rotation. In the literature, it is often referred to as the "collision time" (see Refs. 10-12).
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20
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0343575896
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note
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ran (Ref. 10).
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21
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0343575895
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note
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B is Boltzmann's constant. We employed r=0.96 Å following Ref. 5(b).
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23
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36549092489
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-
M. Neumann, J. Chem. Phys. 82, 5663 (1985); 85, 1567 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 1567
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-
-
24
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0342270642
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note
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M(t) at t = 1 ps are ±0.025 for both cases], it is difficult to draw a definite conclusion on the relative speed of their diffusive relaxations.
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27
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0342270640
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note
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2), where n and ᾱ are the number density and average molecular polarizability of the solvent and V is the volume of the simulation cell. For further details, see Ref. 6.
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28
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0039377478
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D. P. Fernandez, A. R. H. Goodwin, E. W. Lemmon, J. M. H. L. Sengers, and R. C. Williams, J. Phys. Chem. Ref. Data 26, 1125 (1997).
-
(1997)
J. Phys. Chem. Ref. Data
, vol.26
, pp. 1125
-
-
Fernandez, D.P.1
Goodwin, A.R.H.2
Lemmon, E.W.3
Sengers, J.M.H.L.4
Williams, R.C.5
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