Probing the spin multiplicity of gas-phase polycyclic aromatic hydrocarbons through their infrared emission spectrum: A theoretical study

Journal of Chemical Physics

Volumn 137, Issue 6, 2012, Pages

  Falvo, Cyril ^a   Calvo, Florent ^b   Parneix, Pascal ^a  

^a INSTITUT DES SCIENCES MOLÉCULAIRES D ORSAY   (France)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BENDING MODES; COMPUTATIONAL PROTOCOLS; GASPHASE; INFRARED EMISSION SPECTRUM; IR SPECTRUM; MONTE CARLO PROCEDURES; OUT-OF-PLANE; SECOND ORDER PERTURBATION THEORY; SINGLET STATE; SPECTRAL DIFFERENCES; SPIN MULTIPLICITY; THEORETICAL STUDY; TRIPLET STATE; VIBRATIONAL HAMILTONIAN; VIBRATIONAL QUANTUM NUMBER;

MOLECULES; NAPHTHALENE; PHOTOEXCITATION; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM THEORY;

EMISSION SPECTROSCOPY;

EID: 84865172020     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4739468     Document Type: Article

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