Simultaneous spectral and temporal analyses of kinetic energies in nonequilibrium systems: Theory and application to vibrational relaxation of O-D stretch mode of HOD in water

Journal of Physical Chemistry A

Volumn 119, Issue 21, 2015, Pages 5356-5367

  Jeon, Jonggu ^a   Lim, Joon Hyung ^a   Kim, Seongheun ^a   Kim, Heejae ^a   Cho, Minhaeng ^a  

^a Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ENERGY TRANSFER; FOURIER TRANSFORMS; HYDROGEN BONDS; KINETIC ENERGY; MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM THEORY; RELAXATION PROCESSES; RELAXATION TIME; SPECTRAL DENSITY; VIBRATIONS (MECHANICAL);

CLASSICAL MOLECULAR DYNAMICS; FOURIER TRANSFORMATIONS; INTRAMOLECULAR ENERGY TRANSFER; NONEQUILIBRIUM SYSTEM; PUMP PROBE MEASUREMENT; QUANTUM MECHANICAL/MOLECULAR MECHANICAL; VELOCITY CORRELATION FUNCTIONS; VIBRATIONAL RELAXATION;

FREQUENCY DOMAIN ANALYSIS;

EID: 84930681551     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp510157y     Document Type: Article

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