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 -