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Volumn 109, Issue 8, 1998, Pages 3204-3221

Mechanisms of solvation dynamics of polyatomic solutes in polar and nondipolar solvents: A simulation study

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EID: 0001209756     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476911     Document Type: Article
Times cited : (130)

References (98)
  • 1
    • 22244455783 scopus 로고    scopus 로고
    • note
    • References 2 3 4 5 6 7 contain reviews of recent research advances in solvation dynamics.
  • 12
    • 22244444877 scopus 로고    scopus 로고
    • note
    • References 9 10 11 12 contain reviews of recent research progress in dynamic solvent effects on charge-transfer processes.
  • 33
    • 0008899747 scopus 로고    scopus 로고
    • in edited by A. A. Kornyshev and J. Ulstrup World Scientific, Singapore
    • B. M. Ladanyi, in Electron Transfer in Condensed Media, edited by A. A. Kornyshev and J. Ulstrup (World Scientific, Singapore, 1997), pp. 110-129.
    • (1997) Electron Transfer in Condensed Media , pp. 110-129
    • Ladanyi, B.M.1
  • 41
    • 22244445859 scopus 로고    scopus 로고
    • note
    • Most MD simulation studies of solvation dynamics have addressed some aspects of the solvation mechanism. For an overview of many of the more important results, see Ref. 7.
  • 61
    • 33645720914 scopus 로고
    • See also the discussion in
    • See also the discussion in A. Papazyan and M. Maroncelli, J. Chem. Phys. 95, 9219 (1991), Sec. IVB.
    • (1991) J. Chem. Phys. , vol.95 , pp. 9219
    • Papazyan, A.1    Maroncelli, M.2
  • 71
    • 0003905166 scopus 로고
    • Cumulant approximations to time correlations are discussed in a number of articles and books. See, for example Wiley, New York Chap. 3 and Appendix H
    • Cumulant approximations to time correlations are discussed in a number of articles and books. See, for example, W. G. Rothschild, Dynamics of Molecular Liquids (Wiley, New York, 1984), Chap. 3 and Appendix H.
    • (1984) Dynamics of Molecular Liquids
    • Rothschild, W.G.1
  • 72
    • 22244483470 scopus 로고    scopus 로고
    • note
    • j relax rapidly relative to angular displacements.
  • 73
    • 0003109590 scopus 로고
    • Cumulant approximations to orientational TCFs are described by in edited by A. J. Barnes, W. J. Orville-Thomas, and J. Yarwood D. Reidel, Dordrecht
    • Cumulant approximations to orientational TCFs are described by R. M. Lynden-Bell, in Molecular Liquids: Dynamics and Interactions, edited by A. J. Barnes, W. J. Orville-Thomas, and J. Yarwood (D. Reidel, Dordrecht, 1984), pp. 501-508;
    • (1984) Molecular Liquids: Dynamics and Interactions , pp. 501-508
    • Lynden-Bell, R.M.1
  • 89
    • 0040144613 scopus 로고
    • The cancellation is demonstrated in the static case of the charge-charge structure factor by
    • The cancellation is demonstrated in the static case of the charge-charge structure factor by F. O. Raineri, H. Resat, and H. L. Friedman, J. Chem. Phys. 96, 3068 (1992);
    • (1992) J. Chem. Phys. , vol.96 , pp. 3068
    • Raineri, F.O.1    Resat, H.2    Friedman, H.L.3
  • 92
    • 0024736142 scopus 로고
    • For the longitudinal dipole density TCF, the physical reasons for the cancellation are discussed by
    • For the longitudinal dipole density TCF, the physical reasons for the cancellation are discussed by D. Kivelson and H. L. Friedman, J. Phys. Chem. 93, 7026 (1989). The cancellation of the self- and distinct components of this TCF is demonstrated for supercooled water in Ref. 70.
    • (1989) J. Phys. Chem. , vol.93 , pp. 7026
    • Kivelson, D.1    Friedman, H.L.2
  • 93
    • 22244431899 scopus 로고    scopus 로고
    • Similar cancellation occurs for the corresponding components of the charge density TCF of room-temperature acetonitrile to be submitted
    • Similar cancellation occurs for the corresponding components of the charge density TCF of room-temperature acetonitrile (B.-C. Perng and B. M. Ladanyi, to be submitted).
    • Perng, B.-C.1    Ladanyi, B.M.2
  • 95
    • 0003644127 scopus 로고
    • The articles cited in Ref. 62 contain discussions of the intermolecular potential and thermodynamic state dependence of the angular velocity TCF. For a corresponding discussion of the behavior of the center-of-mass velocity TCF, see, for example Academic, Orlando, FL Chap. 7
    • The articles cited in Ref. 62 contain discussions of the intermolecular potential and thermodynamic state dependence of the angular velocity TCF. For a corresponding discussion of the behavior of the center-of-mass velocity TCF, see, for example, J. P. Hansen and I. R. McDonald, Theory of Simple Liquids, 2nd ed. (Academic, Orlando, FL, 1986), Chap. 7.
    • (1986) Theory of Simple Liquids, 2nd Ed.
    • Hansen, J.P.1    McDonald, I.R.2
  • 98
    • 22244449675 scopus 로고    scopus 로고
    • note
    • 1 holds even at very low densities.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.