Density functional theoretical study of mono-nitrated fluoranthenes

Kefa K. Onchoke

doi:10.1080/10406630802179518

Density functional theoretical study of mono-nitrated fluoranthenes

Chemistry and Biochemistry

Producción científica: Article › revisión exhaustiva

Idioma original	English
Páginas (desde-hasta)	193-212
Número de páginas	20
Publicación	Polycyclic Aromatic Compounds
Volumen	28
N.º	3
DOI	https://doi.org/10.1080/10406630802179518
Estado	Published - jun 2008

ASJC Scopus Subject Areas

Organic Chemistry
Polymers and Plastics
Materials Chemistry

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10.1080/10406630802179518

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title = "Density functional theoretical study of mono-nitrated fluoranthenes",

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

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

note = "Funding Information: Received 15 January 2008; accepted 31 January 2008. 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. Address correspondence to Kefa K. Onchoke, Department of Chemistry, Stephen F. Austin State University, Box 3006 – SFA Station, Nacogdoches, Texas, 75962-13006, USA. E-mail: [email protected]",

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doi = "10.1080/10406630802179518",

language = "English",

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N1 - Funding Information: Received 15 January 2008; accepted 31 January 2008. 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. Address correspondence to Kefa K. Onchoke, Department of Chemistry, Stephen F. Austin State University, Box 3006 – SFA Station, Nacogdoches, Texas, 75962-13006, USA. E-mail: [email protected]

PY - 2008/6

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KW - Density functional theory

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KW - Mono nitrated fluoranthenes

KW - Mutagenicity

KW - Nitro group orientation

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