Redistribution of carbonyl stretch mode energy in isolated and solvated N-methylacetamide: Kinetic energy spectral density analyses

Journal of Chemical Physics

Volumn 135, Issue 21, 2011, Pages

  Jeon, Jonggu ^a   Cho, Minhaeng ^a,b  

^a Korea University   (South Korea)

^b Korea Basic Science Institute (KBSI)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL FORCE FIELDS; COOPERATIVE PROCESS; DIRECT ENERGY TRANSFERS; DOMINANT PATHWAYS; ENERGY SPECTRAL DENSITY; EXCESS ENERGY; FORCE FIELDS; INITIAL PERTURBATION; LONG-TIME RELAXATIONS; MODE ENERGIES; N-METHYLACETAMIDE; NON EQUILIBRIUM; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; NORMAL MODE ANALYSIS; NORMAL MODES; SEMIEMPIRICAL PM3; SOLVENT REORGANIZATION; TIME STEP; TIME-DEPENDENT CHANGES; TIME-SCALES; TRANSFER PATHWAY; VIBRATIONAL ENERGY TRANSFER; VIBRATIONALLY EXCITED; WATER CLUSTER;

DEUTERIUM; ELECTRONIC STRUCTURE; ENERGY TRANSFER; FREQUENCY DOMAIN ANALYSIS; HEAVY WATER; KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS; MOLECULAR MODELING; SOLVENTS; SPECTRAL DENSITY; TIME MEASUREMENT;

TIME DOMAIN ANALYSIS;

EID: 83455177159     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3658876     Document Type: Article

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