A novel method for analyzing energy relaxation in condensed phases using nonequilibrium molecular dynamics simulations: Application to the energy relaxation of intermolecular motions in liquid water

Journal of Chemical Physics

Volumn 134, Issue 18, 2011, Pages

  Yagasaki, Takuma ^a   Saito, Shinji ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY TRANSFER; LIQUIDS;

COMPUTATIONAL COSTS; ENERGY RELAXATION PROCESS; ENERGY TRANSFER PROCESS; INTERMOLECULAR ENERGY; INTERMOLECULAR MOTION; NON EQUILIBRIUM MOLECULAR DYNAMIC (NEMD); NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; RESPONSE FUNCTIONS;

MOLECULAR DYNAMICS;

SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENERGY TRANSFER; METHODOLOGY; MOLECULAR DYNAMICS; SPECTROSCOPY; THERMODYNAMICS;

ENERGY TRANSFER; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; SOLVENTS; SPECTRUM ANALYSIS; THERMODYNAMICS; WATER;

EID: 80052330288     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3587105     Document Type: Article

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