Finite-temperature infrared spectroscopy of polycyclic aromatic hydrocarbon molecules. II. Principal mode analysis and self-consistent phonons

Journal of Chemical Physics

Volumn 133, Issue 7, 2010, Pages

  Calvo, F ^a   Parneix, P ^b   Van Oanh, N T ^c  

^a UNIVERSITÉ DE LYON   (France)

^b INSTITUT DES SCIENCES MOLÉCULAIRES D ORSAY   (France)

^c UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; ANHARMONICITIES; ATOMIC DISPLACEMENT; AUTOCORRELATION FUNCTIONS; BLUE-SHIFTED; CLASSICAL SYSTEMS; FOURIER TRANSFORMATIONS; FREQUENCY MODES; INFRARED SPECTRUM; IR INTENSITIES; LINE SHIFTS; NORMAL MODES; PATH-INTEGRAL; POWER-SPECTRA; PRINCIPAL MODE ANALYSIS; QUANTUM DELOCALIZATIONS; QUANTUM MECHANICAL; QUANTUM MOLECULAR DYNAMICS; QUANTUM TRAJECTORIES; RED SHIFT; RING-POLYMERS; SEMI-QUANTITATIVE; STRETCHING MODES; TIGHT BINDING MODEL; VIBRATIONAL MODES;

AROMATIC HYDROCARBONS; BINDING ENERGY; CONDENSED MATTER PHYSICS; COVARIANCE MATRIX; DYNAMICS; FOURIER ANALYSIS; FOURIER TRANSFORMS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULES; ORGANIC COMPOUNDS; PHONONS; POLYCYCLIC AROMATIC HYDROCARBONS; POWER SPECTRUM; QUANTUM CHEMISTRY; QUANTUM THEORY; REGRESSION ANALYSIS; TERNARY SYSTEMS;

ATOMIC SPECTROSCOPY;

EID: 77956073722     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3465554     Document Type: Article

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