Electronic structure study of thermal intraconversions of some dicyclopenta-fused polycyclic aromatic compounds

Journal of Chemical Information and Modeling

Volumn 48, Issue 10, 2008, Pages 1984-1989

  Marković, Svetlana ^a   Stanković, Sonja ^a   Radenković, Slavko ^a   Gutman, Ivan ^a  

^a UNIVERSITY OF KRAGUJEVAC   (Serbia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENE; ELECTRONIC STRUCTURE;

A-RINGS; CONVERSION PROCESS; EXTREME TEMPERATURES; FLASH VACUUM PYROLYSIS; HIGH TEMPERATURE; LATTER MECHANISM; POLYCYCLIC AROMATIC COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

ANTHRACENE DERIVATIVE; HYDROGEN; POLYCYCLIC AROMATIC HYDROCARBON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; ISOMERISM; NORMAL DISTRIBUTION; STATISTICAL MODEL; STRUCTURE ACTIVITY RELATION;

ANTHRACENES; COMPUTER SIMULATION; ELECTRONS; HYDROGEN; ISOMERISM; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; NORMAL DISTRIBUTION; POLYCYCLIC HYDROCARBONS, AROMATIC; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 56449108595     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8002396     Document Type: Article

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