Implications of hyperconjugative effects on bond lengths of allylic systems. An NBO investigation

Journal of Molecular Structure: THEOCHEM

Volumn 710, Issue 1-3, 2004, Pages 105-110

  Bocca, Cleverson C ^a   Pontes, Rodrigo M ^a   Basso, Ernani A ^a  

^a STATE UNIVERSITY OF MARINGÁ   (Brazil)

Author keywords

Alkenes; Bond lengths; Hyperconjugation; NBO analysis; Theoretical calculations

Indexed keywords

ALLYL COMPOUND; CARBON; GERMANIUM; SILICON;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONJUGATION; DENSITY FUNCTIONAL THEORY; GEOMETRY; PARAMETER; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 9644254287     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.033     Document Type: Article

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