A simulation study of the vibration-rotational spectra of HCl diluted in Ar: Rotational dynamics and the origin of the Q-branch

Journal of Molecular Structure

Volumn 976, Issue 1-3, 2010, Pages 42-48

  Padilla, A ^a   Perez J ^a   Herrebout, W A ^b   Van der Veken, B J ^b   Bulanin, M O ^c  

^a UNIVERSIDAD DE LA LAGUNA   (Spain)

^b UNIVERSITY OF ANTWERP   (Belgium)

^c ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Infrared spectra; Quantum simulation; Vibration rotation spectra

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; COMPARATIVE STUDIES; EXPERIMENTAL DATA; FUNDAMENTAL VIBRATIONS; INFRARED SPECTRUM; IR BANDS; NEAREST NEIGHBORS; ORIENTATIONAL RELAXATION; Q-BRANCHES; QUANTUM SIMULATIONS; RELAXATION TIME SCALE; ROTATIONAL DYNAMICS; ROTATIONAL MOTION; ROTATIONAL SPECTRA; SIMULATED SPECTRA; SIMULATION STUDIES; STATISTICAL PROPERTIES; STOCHASTIC SIMULATIONS; SUB-CRITICAL; SUPERCRITICAL TEMPERATURES; THERMODYNAMIC STATE; VIBRATION-ROTATION SPECTRA;

MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; ROTATION; STOCHASTIC MODELS; STOCHASTIC SYSTEMS;

INFRARED SPECTROSCOPY;

EID: 77953696420     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.09.012     Document Type: Article

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