A continuum theory of solvation in quadrupolar solvents. II. Solvation free energetics, dynamics, and solvatochromism

Journal of Chemical Physics

Volumn 119, Issue 16, 2003, Pages 8626-8635

  Jeon, Jonggu ^a,b   Kim, Hyung J ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b Department of Chemistry ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON DIOXIDE; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRON SPECTROSCOPY; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; HAMILTONIANS; INTEGRAL EQUATIONS; ORGANIC SOLVENTS; PERTURBATION TECHNIQUES; SUPERCRITICAL FLUIDS;

CONTINUUM THEORY OF SOLVATION; ELECTRON TRANSFER; QUADRUPOLAR SOLVENT; SOLVATOCHROMISM; SUPERCRITICAL CARBON DIOXIDE;

MOLECULAR DYNAMICS;

EID: 0242708622     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1605377     Document Type: Article

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