Heats of formation of organic molecules calculated by density functional theory: II. Alkanes

Journal of Computational Chemistry

Volumn 19, Issue 12, 1998, Pages 1421-1430

  Labanowski, Jan ^a   Schmitz, Lawrence ^b   Chen, Kuo Hsiang ^c   Allinger, Norman L ^c  

^a OHIO SUPERCOMPUTER CENTER   (United States)

^b MARSHALL UNIVERSITY   (United States)

^c UNIVERSITY OF GEORGIA   (United States)

Author keywords

Bond equivalents; Density functional theory; Group equivalents; Heat of formation

Indexed keywords

EID: 0000669834     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199809)19:12<1421::AID-JCC8>3.0.CO;2-K     Document Type: Article

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