Temperature effects on the rovibrational spectra of pyrene-based PAHs

Journal of Physical Chemistry A

Volumn 115, Issue 32, 2011, Pages 8845-8854

  Calvo, F ^a   Basire, M ^b   Parneix, P ^b  

^a UNIVERSITÉ DE LYON   (France)

^b INSTITUT DES SCIENCES MOLÉCULAIRES D ORSAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITIES; ARBITRARY TEMPERATURE; INFRARED SPECTRUM; INTERSTELLAR EMISSION; IR INTENSITIES; LABORATORY EXPERIMENTS; LAPLACE TRANSFORMATIONS; MULTICANONICAL MONTE-CARLO SIMULATIONS; PERTURBATIVE EXPANSION; PROTONATED; PROTONATION STATE; QUANTUM CHEMISTRY CALCULATIONS; ROTATIONAL DEGREES OF FREEDOM; ROTATIONAL QUANTUM NUMBERS; ROVIBRATIONAL HAMILTONIANS; ROVIBRATIONAL SPECTRUM; SECOND ORDERS; SPECTRAL FEATURE; SPECTRAL SHIFT; TOTAL ENERGY;

ABSORPTION; ABSORPTION SPECTROSCOPY; AROMATIC COMPOUNDS; COMPUTER SIMULATION; HYDROCARBONS; ISOMERS; LAPLACE TRANSFORMS; MOLECULES; MONTE CARLO METHODS; POLYCYCLIC AROMATIC HYDROCARBONS; PROTONATION; QUANTUM CHEMISTRY; QUANTUM THEORY;

TEMPERATURE;

EID: 80051753719     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp202935p     Document Type: Article

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