Terahertz spectrum and normal-mode relaxation in pentaerythritol tetranitrate: Effect of changes in bond-stretching force-field terms

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Pereverzev, Andrey ^a   Sewell, Thomas D ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITIES; BOND-STRETCHING; CLASSICAL MOLECULAR DYNAMICS; DIPOLE-DIPOLE; EXCITED MODE; FORCE FIELDS; HIGH-FREQUENCY MODE; MODE RELAXATION; MORSE POTENTIALS; NORMAL-MODE FREQUENCIES; PEAK POSITION; PENTAERYTHRITOL TETRANITRATE; RELAXATION METHODS; ROOM TEMPERATURE; TERAHERTZ; TERAHERTZ SPECTRA; TIME AUTOCORRELATION FUNCTIONS; TIME-SCALES; TRANSITION DIPOLE;

ATMOSPHERIC PRESSURE; ENERGY TRANSFER; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FOURIER TRANSFORMS; MOLECULAR DYNAMICS; REGRESSION ANALYSIS; RELAXATION PROCESSES;

PRESSURE EFFECTS;

EID: 79960161818     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3600756     Document Type: Article

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