Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes

Kefa K. Onchoke

doi:10.1016/j.theochem.2008.12.009

Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes

Chemistry and Biochemistry

Producción científica: Article › revisión exhaustiva

Idioma original	English
Páginas (desde-hasta)	79-85
Número de páginas	7
Publicación	Journal of Molecular Structure: THEOCHEM
Volumen	899
N.º	1-3
DOI	https://doi.org/10.1016/j.theochem.2008.12.009
Estado	Published - abr 15 2009

ASJC Scopus Subject Areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/j.theochem.2008.12.009

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title = "Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes",

keywords = "Biological activity, Density functional theory, LUMO energies, Mono-nitrated triphenylenes, Nitro group orientation",

author = "Onchoke, {Kefa K.}",

note = "Funding Information: Support for this work was funded by Stephen F. Austin State University Faculty Research Grant (ORSP # 114110) and Research minigrants. KKO would like to thank Professor Michael A. Janusa, Chair, Department of Chemistry, SFASU, for his tireless support. ",

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N1 - Funding Information: Support for this work was funded by Stephen F. Austin State University Faculty Research Grant (ORSP # 114110) and Research minigrants. KKO would like to thank Professor Michael A. Janusa, Chair, Department of Chemistry, SFASU, for his tireless support.

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KW - Density functional theory

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KW - Mono-nitrated triphenylenes

KW - Nitro group orientation

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