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

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

Original language	English
Pages (from-to)	79-85
Number of pages	7
Journal	Journal of Molecular Structure: THEOCHEM
Volume	899
Issue number	1-3
DOIs	https://doi.org/10.1016/j.theochem.2008.12.009
State	Published - Apr 15 2009

ASJC Scopus Subject Areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

Keywords

Biological activity
Density functional theory
LUMO energies
Mono-nitrated triphenylenes
Nitro group orientation

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10.1016/j.theochem.2008.12.009

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@article{4c013eae71b2445cb6300aef9beef53b,

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. ",

year = "2009",

month = apr,

day = "15",

doi = "10.1016/j.theochem.2008.12.009",

language = "English",

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TY - JOUR

T1 - Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes

AU - Onchoke, Kefa K.

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.

PY - 2009/4/15

Y1 - 2009/4/15

KW - Biological activity

KW - Density functional theory

KW - LUMO energies

KW - Mono-nitrated triphenylenes

KW - Nitro group orientation

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U2 - 10.1016/j.theochem.2008.12.009

DO - 10.1016/j.theochem.2008.12.009

M3 - Article

AN - SCOPUS:61649094210

SN - 0166-1280

VL - 899

SP - 79

EP - 85

JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

IS - 1-3

ER -

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

ASJC Scopus Subject Areas

Keywords

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