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Volumn 113, Issue 2, 2002, Pages 227-237

Torsion potentials and electronic structure of trifluoromethoxy- and trifluoromethylthiobenzene: An ab initio study

(3) Kapustin, Evgenij G a Bzhezovsky, Vladimir M a Yagupolskii, Lev M a

Author keywords

Ab initio; Conformations; Methoxybenzene; Methylthiobenzene; NBO analysis; Trifluoromethoxybenzene; Trifluoromethylthiobenzene

Indexed keywords

AROMATIC COMPOUND; BENZENE DERIVATIVE; CARBON; HYDROGEN; OXYGEN; SULFUR; TRIFLUOROMETHOXYBENZENE; TRIFLUOROMETHYLTHIOBENZENE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DENSITY; ELECTRON; ENERGY; HYBRIDIZATION; MOLECULAR DYNAMICS; MOLECULAR STABILITY; QUANTUM THEORY; ROTATION; STRUCTURE ANALYSIS;

EID: 0036008634 PISSN: 00221139 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-1139(01)00556-5 Document Type: Article

Times cited : (28)

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