Torsional barrier and equilibrium structure of ethyl cyanide

Journal of Molecular Spectroscopy

Volumn 252, Issue 2, 2008, Pages 169-175

  Demaison, J ^a   Margules L ^a   Mader H ^b   Sheng, M ^b   Rudolph, H D ^c  

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

^b UNIVERSITY OF KIEL   (Germany)

^c UNIVERSITY OF ULM   (Germany)

Author keywords

Ab initio; Anharmonic force field; Equilibrium structure; Ethyl cyanide; Internal rotation; Propionitrile

Indexed keywords

CYANIDES; HYDROCARBONS; ROTATION;

AB INITIO; ANHARMONIC FORCE FIELD; EQUILIBRIUM STRUCTURE; ETHYL CYANIDE; INTERNAL ROTATION; PROPIONITRILE;

EQUILIBRIUM CONSTANTS;

EID: 56349111800     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2008.08.002     Document Type: Article

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