An ab initio study of solvent shifts in vibrational spectra

Journal of Chemical Physics

Volumn 105, Issue 8, 1996, Pages 2961-2971

  Stefanovich, Eugene V ^a,b   Truong, Thanh N ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF LATVIA   (Latvia)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY ELEMENT METHOD; FREE ENERGY; FREQUENCIES; HYDRATION; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; OPTIMIZATION; ORGANIC ACIDS; SOLVENTS; WATER;

CHEMICAL REACTIVITY; DIELECTRIC CONTINUUM MODELS; GENERALIZED CONDUCTORLIKE SCREENING MODEL; SOLVATION; SOLVENT SHIFTS; VIBRATIONAL FREQUENCY;

MOLECULAR VIBRATIONS;

EID: 0030216793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472169     Document Type: Article

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