Rapid estimation of enthalpies of formation from Hartree-Fock total energy and partial charges for compounds containing Si, S, and Cl atoms

Journal of Physical Chemistry A

Volumn 107, Issue 41, 2003, Pages 8687-8695

  Ruzsinszky, Adrienn ^a   Csonka, Gábor I ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PARTIAL CHARGE; HARTREE-FOCK TOTAL ENERGY; NATURAL POPULATION ANALYSIS;

ATOMS; CHLORINE; COMPUTATIONAL METHODS; ENTHALPY; ESTIMATION; HYDROCARBONS; POTENTIAL ENERGY; SILICON; SULFUR;

MOLECULAR STRUCTURE;

EID: 0242302416     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0343990     Document Type: Article

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