A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantum-classical molecular dynamics. I. A test of IBC model for the relaxation of a nonpolar solute in nonpolar solvent at high density

Journal of Chemical Physics

Volumn 123, Issue 12, 2005, Pages

  Sato, Masahiro ^a   Okazaki, Susumu ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONDENSED PHASE; MOLECULAR DYNAMICS CALCULATIONS; MOLECULAR VIBRATIONAL RELAXATION; POLAR SOLVENTS;

PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SOLVENTS; FERMI LEVEL; HYDROPHILICITY; ISOTHERMS;

MOLECULAR DYNAMICS;

EID: 26044457902     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1953533     Document Type: Article

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