Continuous Medium Theory for Nonequilibrium Solvation: I. How to Correctly Evaluate Solvation Free Energy of Nonequilibrium

Journal of Computational Chemistry

Volumn 25, Issue 4, 2004, Pages 500-509

  Li, Xiang Yuan ^a   Fu, Ke Xiang ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Electron transfer; Nonequilibrium; Solvation free energy; Solvent reorganization energy

Indexed keywords

ELECTRIC FIELD EFFECTS; ELECTRON TRANSITIONS; ELECTROSTATICS; FREE ENERGY; SOLVENTS;

ELECTRON TRANSFER; NONEQUILIBRIUM; SOLVATION FREE ENERGY; SOLVENT REORGANIZATION ENERGY;

MOLECULAR DYNAMICS;

EID: 84962360704     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10377     Document Type: Article

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