Carbocations (M + H)+ and Oxidation Dications (M2+) from Benzo[a]pyrene and Its Nonalternant Isomers Azulenophenalenes: A Theoretical (DFT, GIAO, NICS) Study
Author:
Affiliation:
1. Department of Energy and Hydrocarbon Chemistry, Kyoto University, Kyoto, Japan, and Department of Chemistry, Kent State University, Kent, Ohio 44242
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jo035133s
Reference26 articles.
1. Reactivity-selectivity properties of reactions of carcinogenic electrophiles with biomolecules. Kinetics and products of the reaction of benzo[a]pyrenyl-6-methyl cation with nucleosides and deoxynucleosides
2. Formation of Stable DNA Adducts and Apurinic Sites upon Metabolic Activation of Bay and Fjord Region Polycyclic Aromatic Hydrocarbons in Human Cell Cultures
3. Reaction of the 7,8-diol 9,10-epoxide of benzo[a]pyrene with guanine in DNA. Ab initio calculations and proposed reaction mechanism
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