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Volumn 112, Issue 17, 2000, Pages 7505-7517

X-ray and molecular dynamics study of liquid structure in pure methylchloromethane compounds ((CM3)4-nCCln)

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001637164     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481348     Document Type: Article
Times cited : (40)

References (45)
  • 29
    • 0344629077 scopus 로고    scopus 로고
    • The electrostatic potentials are computed at points on four layers of fused sphere van der Waals surfaces (with scale factors 1.4, 1.6, 1.8, and 2.0) selected by the "geodesic" method [M. A. Spackman, J. Comput. Chem. 17, 1 (1996)]. The number of points thus generated ranges from 748 to 1312 for n = 0 to 4.
    • (1996) J. Comput. Chem. , vol.17 , pp. 1
    • Spackman, M.A.1
  • 30
    • 0042286106 scopus 로고    scopus 로고
    • note
    • In the least-squares fitting procedure, we have introduced additional Lagrange multipliers to constrain the charges on the methyl hydrogen atoms to vanish.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.