Atomistic modeling of vibrational action spectra in polyatomic molecules: Nuclear quantum effects

Journal of Physical Chemistry A

Volumn 118, Issue 29, 2014, Pages 5427-5436

  Calvo, F ^a   Falvo, C ^b   Parneix, P ^b  

^a UNIVERSITÉ LYON 1   (France)

^b INSTITUT DES SCIENCES MOLÉCULAIRES D ORSAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ATOMS; DISSOCIATION; MASS SPECTROMETRY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; RATE CONSTANTS;

CLASSICAL MOLECULAR DYNAMICS; DISSOCIATION SPECTRA; HEATING EFFICIENCIES; INFRARED (IR) LASER PULSE; IR ABSORPTION SPECTRA; NUCLEAR QUANTUM EFFECTS; POLYATOMIC MOLECULES; STATISTICAL DISSOCIATION;

NAPHTHALENE;

EID: 84904994773     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5040147     Document Type: Article

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