Molecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water

Journal of Physical Chemistry A

Volumn 114, Issue 43, 2010, Pages 11450-11461

  Bastida, Adolfo ^a   Soler, Miguel A ^a   Zúñiga, José ^a   Requena, Alberto ^a   Kalstein, Adrián ^b   Fernández Alberti, Sebastian ^b  

^a UNIVERSITY OF MURCIA   (Spain)

^b UNIVERSIDAD NACIONAL DE QUILMES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

BENDING MODES; DEUTERATED WATER; ENERGY MODES; EXCITED MODE; EXPERIMENTAL MEASUREMENTS; INSTANTANEOUS NORMAL MODES; INTRAMOLECULAR VIBRATIONAL REDISTRIBUTIONS; MOLECULAR DYNAMICS SIMULATIONS; N-METHYLACETAMIDE; NONEQUILIBRIUM MOLECULAR DYNAMICS; NORMAL MODE ANALYSIS; NORMAL MODES; RELAXATION CHANNELS; STRETCH-BEND; STRETCHING MODES; TIME-SCALES; ULTRA-FAST; VIBRATIONAL ENERGIES; VIBRATIONAL ENERGY FLOW; VIBRATIONAL ENERGY RELAXATION; VIBRATIONAL ENERGY TRANSFER; VIBRATIONAL QUANTA; VIBRATIONAL RELAXATION;

DEUTERIUM; ENERGY TRANSFER; EXCITED STATES; EXPONENTIAL FUNCTIONS; MOLECULAR DYNAMICS; RAMAN SPECTROSCOPY; RELAXATION PROCESSES;

VIBRATION ANALYSIS;

ACETAMIDE DERIVATIVE; DEUTERIUM OXIDE; N METHYLACETAMIDE; N-METHYLACETAMIDE;

ARTICLE; CHEMISTRY; ENERGY TRANSFER; MOLECULAR DYNAMICS; SOLUTION AND SOLUBILITY; VIBRATION;

ACETAMIDES; DEUTERIUM OXIDE; ENERGY TRANSFER; MOLECULAR DYNAMICS SIMULATION; SOLUTIONS; VIBRATION;

EID: 78049517795     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp106998h     Document Type: Article

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