Structures of Cl-CH3Cl(H2O)(n) (n = 0,1,2) cluster at room temperature from Monte Carlo samplings using the ab initio MO method

Journal of Molecular Structure: THEOCHEM

Volumn 461-462, Issue , 1999, Pages 493-502

  Asada, T ^a   Kato, N ^a   Kitaura, K ^a  

^a Osaka Prefecture University   (Japan)

Author keywords

Ab initio potential; CH3Cl2 (H2O)(n) clusters; MC simulation; S(N)2 reaction; Solvation effects

Indexed keywords

METHYL CHLORIDE;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; ISOMERISM; SOLVATION; SYSTEM ANALYSIS; TEMPERATURE SENSITIVITY;

EID: 17744409693     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00433-3     Document Type: Article

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