VBSM: A solvation model based on valence bond theory

Journal of Physical Chemistry A

Volumn 112, Issue 50, 2008, Pages 12761-12768

  Su, Peifeng ^a   Wu, Wei ^a   Kelly, Casey P ^b   Cramer, Christopher J ^b   Truhlar, Donald G ^b  

^a XIAMEN UNIVERSITY   (China)

^b University of Minnesota

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHARGES; CHARGE MODELS; PROTOTYPE TESTS; REACTION FIELDS; SELF-CONSISTENT FIELDS; SOLVATION FREE ENERGIES; SOLVATION MODELS; SOLVENT EFFECTS; SOLVENT STRUCTURES; TOTAL ENERGIES; VALENCE BOND THEORIES; VALENCE BONDS;

ATOMIC PHYSICS; ATOMS; CHEMICAL BONDS; CHEMICAL REACTIONS; CURRENT VOLTAGE CHARACTERISTICS; ELECTROSTATICS; FREE ENERGY; GRAFTING (CHEMICAL); MOLECULAR ORBITALS; SOLVENTS; SURFACE TENSION; SYNTHESIS (CHEMICAL);

SOLVATION;

EID: 58149173959     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp711655k     Document Type: Article

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