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Volumn 112, Issue 26, 2008, Pages 7697-7701

On the residence time for water in a solute hydration shell: Application to aqueous halide solutions

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; GRAFTING (CHEMICAL); MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; REACTION KINETICS; SOLUTIONS; STEEL STRUCTURES; SYNTHESIS (CHEMICAL);

EID: 53349163943     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802033r     Document Type: Article
Times cited : (143)

References (46)
  • 10
    • 53349161431 scopus 로고
    • Magnetic Resonance Spectroscopy in Ionic Solvation Studies
    • In The, Part B; Dogonadze, R. R, Kalman, E, Korayshev, A. A, Ulstrup, J, Eds, Elsevier: New York
    • Hertz, H. G. Nuclear Magnetic Resonance Spectroscopy in Ionic Solvation Studies. In The Chemical Physics of Solvation. Part B; Dogonadze, R. R., Kalman, E., Korayshev, A. A., Ulstrup, J., Eds.; Elsevier: New York, 1988.
    • (1988) Chemical Physics of Solvation
    • Hertz, H.1    Nuclear, G.2
  • 25
    • 84906410780 scopus 로고    scopus 로고
    • 18, 19 where only two states are considered: bound and free. The coupling with a third state is necessary to reproduce the decay dynamics.
    • 18, 19 where only two states are considered: bound and free. The coupling with a third state is necessary to reproduce the decay dynamics.
  • 27
    • 84906382289 scopus 로고    scopus 로고
    • While it is not strictly correct to fit a bi-exponential decay with a single exponential, introducing t* both decreases the short time decay value and its amplitude, thus rendering this approximation acceptable
    • While it is not strictly correct to fit a bi-exponential decay with a single exponential, introducing t* both decreases the short time decay value and its amplitude, thus rendering this approximation acceptable.
  • 28
    • 84906367598 scopus 로고    scopus 로고
    • The IMM prescription already discards some fast events by only considering the long-time decay of the CIMM tcf (eq 1);&τIMMres(t*, 0) thus exceeds the mean first passage time, as illustrated by the comparison of Figures 1 and 2
    • res(t* = 0) thus exceeds the mean first passage time, as illustrated by the comparison of Figures 1 and 2.
  • 37
    • 0000925532 scopus 로고
    • The Theory of Reactions in Solution
    • Baer, M, Ed, CRC Press: Boca Raton, FL
    • Hynes, J. T. The Theory of Reactions in Solution. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; pp 171-234.
    • (1985) Theory of Chemical Reaction Dynamics , pp. 171-234
    • Hynes, J.T.1
  • 38
    • 0034504583 scopus 로고    scopus 로고
    • Luzar, A. J. Chem. Phys. 2000, 113, 10663-10675.
    • (2000) J. Chem. Phys , vol.113 , pp. 10663-10675
    • Luzar, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.