Computer representation and generation of possible pathways for thermal decomposition reactions of organic compounds

Journal of Molecular Structure: THEOCHEM

Volumn 391, Issue 1-2, 1997, Pages 117-124

  Porollo, Aleksei A ^a   Lushnikov, Dmitry E ^b   Pivina, Tatyana S ^c   Ivshin, Victor P ^a  

^a MARI STATE UNIVERSITY   (Russian Federation)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

MNDO PM3 application; Production rules; Radical reaction; Recombination reaction network; Thermal decomposition modelling

Indexed keywords

EID: 0001644398     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04795-1     Document Type: Article

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