Ab initio study of steric effects due to dialkyl substitutions on H 2C3 isomers

Journal of Molecular Structure: THEOCHEM

Volumn 681, Issue 1-3, 2004, Pages 129-135

  Kassaee, M Z ^a   Hossaini, Z S ^a   Haerizade, B N ^a   Sayyed Alangi, S Z ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Ab initio; Carbene; Cyclopropenylidene; Interstellar H2C3; Propargylene; Steric effects; Vinylidenecarbene

Indexed keywords

ALKENE DERIVATIVE; CARBENOID; CARBON; HYDROGEN;

AB INITIO CALCULATION; ARTICLE; ENERGY TRANSFER; ISOMER; STEREOSPECIFICITY; SUBSTITUTION REACTION; THEORY;

EID: 3543037626     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.05.014     Document Type: Article

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