Theoretical study of the intramolecular CH/π interaction effect on rotation energy barriers in 1-pentene, 2,2′-diisopropyl biphenyl and some amino and nitro derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 680, Issue 1-3, 2004, Pages 169-180

  Linares, Mathieu ^a   Pellegatti, Alain ^a   Roussel, Christian ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Ab initio; Density functional methods; Intramolecular CH interactions; Rotation energy barriers

Indexed keywords

AMINO ACID DERIVATIVE; NITRO DERIVATIVE;

AB INITIO CALCULATION; ALKALINITY; ARTICLE; ATOM; CHEMICAL BOND; CHEMICAL INTERACTION; CONFORMATION; ENERGY; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY; ROTATION; STATISTICAL SIGNIFICANCE; SUBSTITUTION REACTION; THEORY;

EID: 84962362404     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.025     Document Type: Article

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