ab initio MO Optimization of Molecular Structures of Fluoroand Chloro-Substituted Dibenzo-p-dioxines and the Effect of Halogen Substitution at the 2,3,7,8-Positions on Metabolic Attack

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 52, Issue 11, 1997, Pages 1418-1431

  Weber, Roland ^a   Kühn, Till ^a   Hagenmaier, Hanspaul ^a   Häfelinger, Günter ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

Calculated influence on metabolic attack; Fluoro and chloro substituted dibenzo p dioxines; Molecular geometries

Indexed keywords

ELECTRON DENSITY MEASUREMENT; FLUORINE; HARDNESS; METABOLISM; MOLECULAR STRUCTURE; QUANTUM THEORY; STRUCTURAL OPTIMIZATION;

AB INITIO CALCULATIONS; CALCULATED INFLUENCE ON METABOLIC ATTACK; EFFECT OF HALOGEN SUBSTITUTION; FLUORINE SUBSTITUENTS; FLUORO-AND CHLORO-SUBSTITUTED DIBENZO-P-DIOXINES; MOLECULAR GEOMETRIES; QUANTUM-MECHANICAL CALCULATION; SEMI-EMPIRICAL CALCULATION;

CALCULATIONS;

EID: 0039384645     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-1997-1121     Document Type: Article

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