Thermodynamic properties of chlorinated phenols, cyclo-C5 compounds, and derived radicals from G3MP2B3 calculations

Journal of Molecular Structure

Volumn 661-662, Issue 1-3, 2003, Pages 635-645

  Janoschek, Rudolf ^a   Fabian, Walter M F ^a  

^a UNIVERSITY OF GRAZ   (Austria)

Author keywords

Ab initio calculations; Polychlorinated phenols; Thermochemical properties

Indexed keywords

PHENOL DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CHLORINATION; ENTHALPY; ENTROPY; THERMODYNAMICS; VIBRATION;

EID: 0842349301     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00508-8     Document Type: Article

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