Carbocations (M + H)+ and Oxidation Dications (M2+) from Benzo[a]pyrene and Its Nonalternant Isomers Azulenophenalenes: A Theoretical (DFT, GIAO, NICS) Study

Takao Okazaki; Kenneth K. Laali

doi:10.1021/jo035133s

Carbocations (M + H)⁺ and Oxidation Dications (M²⁺) from Benzo[a]pyrene and Its Nonalternant Isomers Azulenophenalenes: A Theoretical (DFT, GIAO, NICS) Study

Kent State University

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

Original language	English
Pages (from-to)	510-516
Number of pages	7
Journal	Journal of Organic Chemistry
Volume	69
Issue number	2
DOIs	https://doi.org/10.1021/jo035133s
State	Published - Jan 23 2004
Externally published	Yes

ASJC Scopus Subject Areas

Organic Chemistry

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10.1021/jo035133s

Cite this

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AU - Okazaki, Takao

AU - Laali, Kenneth K.

PY - 2004/1/23

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JO - Journal of Organic Chemistry

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Carbocations (M + H)+ and Oxidation Dications (M2+) from Benzo[a]pyrene and Its Nonalternant Isomers Azulenophenalenes: A Theoretical (DFT, GIAO, NICS) Study

ASJC Scopus Subject Areas

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Carbocations (M + H)⁺ and Oxidation Dications (M²⁺) from Benzo[a]pyrene and Its Nonalternant Isomers Azulenophenalenes: A Theoretical (DFT, GIAO, NICS) Study