Ab initio anharmonic force field and equilibrium structure of propene

Journal of Molecular Spectroscopy

Volumn 248, Issue 1, 2008, Pages 66-76

  Demaison, J ^a   Rudolph, H D ^b  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

Ab initio; Anharmonic force field; Equilibrium structure; Propene

Indexed keywords

CORRELATION METHODS; GROUND STATE; MOLECULAR STRUCTURE; PARAMETER ESTIMATION;

ANHARMONIC FORCE FIELDS; CORE CORRELATION; EQUILIBRIUM STRUCTURE; STRETCHING FREQUENCIES;

PROPYLENE;

EID: 39149138113     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2007.12.001     Document Type: Article

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