Density-functional theory and hybrid density-functional theory continuum solvation models for aqueous and organic solvents: Universal SM5.43 and SM5.43R solvation models for any fraction of Hartree-Fock exchange

Theoretical Chemistry Accounts

Volumn 113, Issue 2, 2005, Pages 107-131

  Thompson, Jason D ^a   Cramer, Christopher J ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC SOLVENT;

ANALYTIC METHOD; AQUEOUS SOLUTION; ARTICLE; CHEMICAL MODIFICATION; CHEMICAL PROCEDURES; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; HYBRIDIZATION; MATHEMATICAL MODEL; MATHEMATICAL PARAMETERS; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHASE TRANSITION; SOLVATION; SOLVENT EFFECT;

EID: 84962469019     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0614-z     Document Type: Article

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