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Volumn 109, Issue 12, 1998, Pages 4911-4919

Spectroscopic and dielectric properties of liquid water: A molecular dynamics simulation study

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DIELECTRIC PROPERTIES; ELECTRON SPECTROSCOPY; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; MATHEMATICAL MODELS; QUANTUM THEORY; WATER;

EID: 0032558371     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477102     Document Type: Article
Times cited : (77)

References (79)
  • 41
    • 21544445553 scopus 로고    scopus 로고
    • Generalized Molecular Mechanics Including Quantum Electronic Structure Variation of Polar Solvents: An Overview
    • (c) in press
    • (c) H. J. Kim, B. D. Bursulaya, J. Jeon, and D. A. Zichi, Generalized Molecular Mechanics Including Quantum Electronic Structure Variation of Polar Solvents: An Overview, ACS Proceedings (in press).
    • ACS Proceedings
    • Kim, H.J.1    Bursulaya, B.D.2    Jeon, J.3    Zichi, D.A.4
  • 42
    • 21544469103 scopus 로고    scopus 로고
    • note
    • The limitations of this approximation and its improvement within the TAB description are discussed in Ref. 25(a).
  • 53
    • 21544439808 scopus 로고    scopus 로고
    • note
    • M=9ps.
  • 56
    • 21544465285 scopus 로고    scopus 로고
    • note
    • Due to the periodic boundary condition, only certain discrete values are allowed for the wave vector.
  • 58
    • 0000642967 scopus 로고
    • For general discussions on the applicability and limitations of this approximation, see, e.g.
    • For general discussions on the applicability and limitations of this approximation, see, e.g., B. J. Berne, J. Jortner, and R. Gordon, J. Chem. Phys. 47, 1600 (1967);
    • (1967) J. Chem. Phys. , vol.47 , pp. 1600
    • Berne B., J.1    Jortner, J.2    Gordon, R.3
  • 60
    • 21544479690 scopus 로고    scopus 로고
    • This is in contrast with the findings of Ref. 15
    • This is in contrast with the findings of Ref. 15.
  • 70
    • 0004138817 scopus 로고
    • in edited by W. P. Mason Academic, New York
    • T. A. Litovitz and C. M. Davis, in Physical Acoustics, edited by W. P. Mason (Academic, New York, 1965), Vol. IIA;
    • (1965) Physical Acoustics , vol.2 A
    • Litovitz, T.A.1    Davis, C.M.2
  • 72
    • 0000294760 scopus 로고
    • The interpolated value at 25°C from the experimental results
    • The interpolated value at 25°C from the experimental results [W. M. Slie, A. R. Donfor, Jr., and T. A. Litovitz, J. Chem. Phys. 10, 3712 (1966)] is 0.8 ps.
    • (1966) J. Chem. Phys. , vol.10 , pp. 3712
    • Slie, W.M.1    Donfor Jr., A.R.2    Litovitz, T.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.