TY - JOUR
T1 - Density functional theoretical study of mono-nitrated fluoranthenes
AU - Onchoke, Kefa K.
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
Y1 - 2008/6
KW - Biological activity
KW - Density functional theory
KW - LUMO energies
KW - Mono nitrated fluoranthenes
KW - Mutagenicity
KW - Nitro group orientation
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U2 - 10.1080/10406630802179518
DO - 10.1080/10406630802179518
M3 - Article
AN - SCOPUS:46749098376
SN - 1040-6638
VL - 28
SP - 193
EP - 212
JO - Polycyclic Aromatic Compounds
JF - Polycyclic Aromatic Compounds
IS - 3
ER -