Evaluation of density functional theory in the bond rupture of octane

Journal of Computational Chemistry

Volumn 19, Issue 2, 1998, Pages 154-167

  Goldstein, E ^a   Haught, M ^b   Tang, Y ^b  

^a CALIFORNIA STATE POLYTECHNIC UNIVERSITY   (United States)

^b CHEVRON ENERGY TECHNOLOGY COMPANY   (United States)

Author keywords

Alkane fragmentation; Density functional theory; Free radicals

Indexed keywords

EID: 0009636389     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980130)19:2<154::AID-JCC8>3.0.CO;2-T     Document Type: Review

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