Systematic errors in DFT calculations of haloalkane heats of formation

Journal of Computational Chemistry

Volumn 24, Issue 5, 2003, Pages 640-646

  Cloud III, C F ^a   Schwartz, M ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

Bond additivity corrections; Density functional theory; Enthalpy of formation; Haloalkanes; Thermochemistry

Indexed keywords

CHEMICAL BONDS; ENTHALPY; ERROR ANALYSIS; PROBABILITY DENSITY FUNCTION;

HALOALKANES;

ETHANE;

EID: 0037447296     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10225     Document Type: Article

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