The syn-/anti-conformational equilibrium of acetic acid in water studied by the RISM-SCF/MCSCF method

Journal of Molecular Structure: THEOCHEM

Volumn 461-462, Issue , 1999, Pages 113-120

  Sato, Hirofumi ^a   Hirata, Fumio ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Acetic acid; Conformational change; Electron density change; Potential of mean force; RISM SCF MCSCF method

Indexed keywords

ACETIC ACID; WATER;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; MOLECULAR STABILITY; QUANTUM CHEMISTRY; SOLVATION;

EID: 0033515405     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00436-9     Document Type: Article

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