A DFT Model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene

Gabriela L. Borosky; Kenneth K. Laali

doi:10.1002/ejoc.200900264

A DFT Model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene

Kent State University

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	3331-3339
Number of pages	9
Journal	European Journal of Organic Chemistry
Issue number	20
DOIs	https://doi.org/10.1002/ejoc.200900264
State	Published - Jul 2009
Externally published	Yes

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry
Organic Chemistry

Keywords

Carbocations /
Density functional calculations /
DNA
Hydrocarbons /
Polycycles /
Polycyclic aromatic hydrocarbons (pah) /
Structure-activity relationships /

Access to Document

10.1002/ejoc.200900264

Cite this

@article{cfdd45e535034596b30e784926695e7c,

title = "A DFT Model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene",

keywords = "Carbocations /, Density functional calculations /, DNA, Hydrocarbons /, Polycycles /, Polycyclic aromatic hydrocarbons (pah) /, Structure-activity relationships /",

author = "Borosky, {Gabriela L.} and Laali, {Kenneth K.}",

year = "2009",

month = jul,

doi = "10.1002/ejoc.200900264",

language = "English",

pages = "3331--3339",

number = "20",

}

TY - JOUR

T1 - A DFT Model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene

AU - Borosky, Gabriela L.

AU - Laali, Kenneth K.

PY - 2009/7

Y1 - 2009/7

KW - Carbocations /

KW - Density functional calculations /

KW - DNA

KW - Hydrocarbons /

KW - Polycycles /

KW - Polycyclic aromatic hydrocarbons (pah) /

KW - Structure-activity relationships /

UR - http://www.scopus.com/inward/record.url?scp=67650489059&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=67650489059&partnerID=8YFLogxK

U2 - 10.1002/ejoc.200900264

DO - 10.1002/ejoc.200900264

M3 - Article

AN - SCOPUS:67650489059

SN - 1434-193X

SP - 3331

EP - 3339

JO - European Journal of Organic Chemistry

JF - European Journal of Organic Chemistry

IS - 20

ER -

A DFT Model study of the carbocations formed via the fjord- and bay-region diol epoxide metabolites of isomeric dibenzopyrenes and naphthopyrene

ASJC Scopus Subject Areas

Keywords

Access to Document

Other files and links

Cite this