Free-energy analysis of the electron-density fluctuation in the quantum-mechanical/molecular-mechanical simulation combined with the theory of energy representation

Journal of Chemical Physics

Volumn 136, Issue 4, 2012, Pages

  Matubayasi, Nobuyuki ^a,b   Takahashi, Hideaki ^c  

^a KYOTO UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DISTORTION ENERGY; ENERGY OF SOLVATION; INTERACTION ENERGIES; MANY-BODY; MANY-BODY COUPLING; NON-ADDITIVE; QUANTUM MECHANICAL; SOLUTE-SOLVENT INTERACTION; SOLVATION EFFECT; SOLVATION FREE ENERGIES; SUPERCRITICAL CONDITION; THEORY OF ENERGY REPRESENTATION; WATER SOLVENTS; ZWITTERIONIC FORMS;

AMINO ACIDS; ELECTRIC DISTORTION; ENERGY MANAGEMENT; SOLVATION;

FREE ENERGY;

EID: 84861610680     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3677184     Document Type: Article

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