DFT/TD-DFT investigation of optical absorption spectra, electron affinities, and ionization potentials of mono-nitrated benzanthrones

Producción científica: Article › revisión exhaustiva

Idioma original	English
Páginas (desde-hasta)	40-50
Número de páginas	11
Publicación	Computational and Theoretical Chemistry
Volumen	963
N.º	1
DOI	https://doi.org/10.1016/j.comptc.2010.09.007
Estado	Published - ene 2011

ASJC Scopus Subject Areas

@article{fd2c08c9a74e4e7c85fd99be624cb5b2,

title = "DFT/TD-DFT investigation of optical absorption spectra, electron affinities, and ionization potentials of mono-nitrated benzanthrones",

keywords = "Absorption spectra, Electron affinities, Ionization potentials, LUMO energies, Nitrated benzanthrones, TDDFT",

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

year = "2011",

month = jan,

doi = "10.1016/j.comptc.2010.09.007",

language = "English",

volume = "963",

pages = "40--50",

number = "1",

}

TY - JOUR

T1 - DFT/TD-DFT investigation of optical absorption spectra, electron affinities, and ionization potentials of mono-nitrated benzanthrones

AU - Onchoke, Kefa K.

PY - 2011/1

Y1 - 2011/1

KW - Absorption spectra, Electron affinities

KW - Ionization potentials

KW - LUMO energies

KW - Nitrated benzanthrones

KW - TDDFT

UR - http://www.scopus.com/inward/record.url?scp=80052949028&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=80052949028&partnerID=8YFLogxK

U2 - 10.1016/j.comptc.2010.09.007

DO - 10.1016/j.comptc.2010.09.007

M3 - Article

AN - SCOPUS:80052949028

SN - 2210-271X

VL - 963

SP - 40

EP - 50

JO - Computational and Theoretical Chemistry

JF - Computational and Theoretical Chemistry

IS - 1

ER -