Surprisingly regular structure-property relationships between C-O bond distances and methoxy group torsional potentials: An ab initio and density functional study

Journal of Molecular Structure: THEOCHEM

Volumn 635, Issue 1-3, 2003, Pages 141-150

  Klocker, Johanna ^a   Karpfen, Alfred ^a   Wolschann, Peter ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Ab initio; Methoxy group; Torsional potential

Indexed keywords

4 (N,N' DIMETHYL)AMINO 1 METHOXYBENZENE; 4 FLUORO 1 METHOXYBENZENE; 4 METHOXYARSABENZENE; 4 METHOXYGERMABENZENE; 4 METHOXYPHOSPHABENZENE; 4 METHOXYSILABENZENE; ANISOLE DERIVATIVE; ARSENIC; BENZENE DERIVATIVE; CARBON; GERMANIUM; NITROGEN; PHOSPHORUS; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; SILICON; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY; ENERGY; STRUCTURE ACTIVITY RELATION;

EID: 0041376393     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00413-5     Document Type: Article

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