On the role of nonbonded interactions in vibrational energy relaxation of cyanide in water

Journal of Physical Chemistry A

Volumn 115, Issue 20, 2011, Pages 5053-5061

  Lee, Myung Won ^a   Meuwly, Markus ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; CYANIDE ION; DEUTERATED WATER; ELECTROSTATIC MODELS; ENERGY REDISTRIBUTION; FORCE FIELDS; MOLECULAR MECHANISM; NONBONDED INTERACTION; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; PICOSECONDS; PUMP-PROBE; QUANTITATIVE AGREEMENT; VAN DER WAALS; VIBRATIONAL ENERGY RELAXATION; VIBRATIONAL RELAXATION; VIBRATIONALLY EXCITED;

DEUTERIUM; EXCITED STATES; EXPERIMENTS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; RELAXATION PROCESSES; VAN DER WAALS FORCES;

CYANIDES;

EID: 79959332998     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp202503m     Document Type: Article

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