Molecular dynamics simulation of cooling: Heat transfer from a photoexcited peptide to the solvent

Journal of Chemical Physics

Volumn 131, Issue 18, 2009, Pages

  Park, Sang Min ^a   Nguyen, Phuong H ^a   Stock, Gerhard ^a,b  

^a GOETHE UNIVERSITY   (Germany)

^b UNIVERSITY OF FREIBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COOLING PROCESS; COOLING RATES; COOLING TIME; ENERGY FLOW; FORCE FIELD MODELS; HEAT CAPACITIES; HIGH-FREQUENCY VIBRATIONAL MODES; INTERACTION ENERGIES; INTERNAL DEGREES OF FREEDOM; LENNARD JONES; LENNARD-JONES INTERACTION; LOW-FREQUENCY VIBRATIONAL MODES; MD SIMULATION; MODEL PEPTIDES; MOLECULAR DYNAMICS SIMULATIONS; N-METHYLACETAMIDE; NON EQUILIBRIUM; NONSTATIONARY; PHOTO-INDUCED; QUANTUM-MECHANICAL EFFECTS; SOLVENT MOLECULES; TEMPERATURE JUMP; THEORETICAL MODELS;

AMINES; CARBON TETRACHLORIDE; COOLING; DIMETHYL SULFOXIDE; ENERGY DISSIPATION; HEAT EXCHANGERS; MOLECULAR DYNAMICS; PEPTIDES; SIMULATORS; SOLVENTS;

ORGANIC SOLVENTS;

PEPTIDE; SOLVENT;

ARTICLE; CHEMISTRY; ENERGY TRANSFER; HEAT; MOLECULAR DYNAMICS; PHOTOCHEMISTRY; PHYSICS; THERMODYNAMICS;

ENERGY TRANSFER; HOT TEMPERATURE; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PHOTOCHEMICAL PROCESSES; PHYSICS; SOLVENTS; THERMODYNAMICS;

EID: 72949111782     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3259971     Document Type: Article

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