Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach

Chemical Physics

Volumn 397, Issue 1, 2012, Pages 55-64

  Tasinato, Nicola ^a   Pietropolli Charmet, Andrea ^a   Stoppa, Paolo ^a   Giorgianni, Santi ^a   Gambi, Alberto ^b  

^a CA' FOSCARI UNIVERSITY OF VENICE   (Italy)

^b UNIVERSITY OF UDINE   (Italy)

Author keywords

Ab initio calculations; Absorption cross sections; Anharmonic force field; Chlorotrifluoroethene; Vibrational perturbation theory; Vibrational spectroscopy

Indexed keywords

EID: 84858082253     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.12.015     Document Type: Article

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