Conformations of benzene- and dibenzo[a,l]pyrene diol epoxides studied by density functional theory: Ground states, transition states, dynamics, and solvent effects

Chemical Research in Toxicology

Volumn 16, Issue 5, 2003, Pages 590-597

  Cho, Kyung Bin ^a   Dreij, Kristian ^b   Jernström, Bengt ^b   Gräslund, Astrid ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b KAROLINSKA INSTITUTE   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE; BENZENE DIOL EPOXIDE; DIBENZO[A,L]PYRENE; DIBENZO[A,L]PYRENE DIOL EPOXIDE; EPOXIDE; HYDROXYL GROUP; POLYCYCLIC AROMATIC HYDROCARBON; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; DENSITY; DYNAMICS; ENERGY; STEREOCHEMISTRY; STEREOISOMERISM; THEORY; THERMAL ANALYSIS; VIBRATION;

ARENE;

EID: 0037906165     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx034017h     Document Type: Article

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