Anharmonic frequencies of [F, C, N, X] isomers (X = O, S) obtained from explicitly correlated coupled-cluster calculations

Chemical Physics

Volumn 387, Issue 1-3, 2011, Pages 1-4

  Rodriguez Betancourtt, V M ^a   Quezada Navarro, V M ^b   Neff, M ^c   Rauhut, G ^c  

^a UNIVERSITY OF GUADALAJARA   (Mexico)

^b SCHOOL OF ENGINEERING AND SCIENCES   (Mexico)

^c UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Anharmonic frequencies; Explicitly coupled cluster calculations; FNCO isomers; Vibrational configuration interaction calculations

Indexed keywords

EID: 80052028309     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.06.015     Document Type: Article

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