Year |
Citation |
Score |
2020 |
Onchoke KK. Data on GC/MS elution profile, H and C NMR spectra of 1-, 3-, and 6-Nitrobenzo[]pyrenes. Data in Brief. 28: 104995. PMID 31890825 DOI: 10.1016/J.Dib.2019.104995 |
0.36 |
|
2020 |
Onchoke KK. Vibrational Spectroscopic Studies of Nitrated Polycyclic Aromatic Hydrocarbons (NPAHs): A Review (1960-2019) Vibrational Spectroscopy. 109: 103072. DOI: 10.1016/J.Vibspec.2020.103072 |
0.4 |
|
2016 |
Onchoke KK, Chaudhry SN, Ojeda JJ. Vibrational and electronic spectra of 2-nitrobenzanthrone: An experimental and computational study. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 153: 402-14. PMID 26348130 DOI: 10.1016/J.Saa.2015.08.053 |
0.508 |
|
2015 |
Onchoke KK, Parks M. Corrigendum to "Experimental and theoretical study of vibrational spectra of 3-nitrofluoranthene" [J. Mol. Struct. 999 (1) (2011) 22-28] Journal of Molecular Structure. 1080: 188. DOI: 10.1016/J.Molstruc.2014.10.009 |
0.444 |
|
2014 |
Onchoke KK. A TD-DFT study of the absorption spectra of mono-nitrated fluoranthenes Computational and Theoretical Chemistry. 1042: 23-34. DOI: 10.1016/J.Comptc.2014.04.027 |
0.438 |
|
2013 |
Onchoke KK, Ojeda JJ. A DFT Study of Vibrational Spectra and Mutagenicity Predictions of Mononitrated Fluoranthenes Polycyclic Aromatic Compounds. 33: 473-500. DOI: 10.1080/10406638.2013.810654 |
0.465 |
|
2011 |
Onchoke KK, Dutta PK, Parks ME, Martinez MN. Vibrational and electronic spectra of 9,10-dihydrobenzo(a)pyren-7(8H)-one and 7,8,9,10-tetrahydrobenzo(a)pyrene: an experimental and computational study. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 81: 162-71. PMID 21737341 DOI: 10.1016/J.Saa.2011.05.091 |
0.563 |
|
2011 |
Onchoke KK, Parks M. Experimental and theoretical study of vibrational spectra of 3-nitrofluoranthene Journal of Molecular Structure. 999: 22-28. DOI: 10.1016/J.Molstruc.2011.04.033 |
0.497 |
|
2011 |
Onchoke KK. DFT/TD-DFT investigation of optical absorption spectra, electron affinities, and ionization potentials of mono-nitrated benzanthrones Computational and Theoretical Chemistry. 963: 40-50. DOI: 10.1016/J.Comptc.2010.09.007 |
0.458 |
|
2009 |
Vyas S, Onchoke KK, Rajesh CS, Hadad CM, Dutta PK. Optical spectroscopic studies of mononitrated benzo[a]pyrenes. The Journal of Physical Chemistry. A. 113: 12558-65. PMID 19888776 DOI: 10.1021/Jp904234Q |
0.528 |
|
2009 |
Onchoke KK, Parks ME, Nolan AH. A DFT study of the vibrational spectra of 1-, and 2-nitrotriphenylene. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 74: 579-87. PMID 19651536 DOI: 10.1016/J.Saa.2009.07.010 |
0.516 |
|
2009 |
Onchoke KK. Structure-mutagenicity relationships and energies of 1-, and 2-nitrotriphenylenes Journal of Molecular Structure: Theochem. 899: 79-85. DOI: 10.1016/J.Theochem.2008.12.009 |
0.435 |
|
2008 |
Onchoke KK. Density functional theoretical study of mono-nitrated fluoranthenes Polycyclic Aromatic Compounds. 28: 193-212. DOI: 10.1080/10406630802179518 |
0.446 |
|
2006 |
Onchoke KK, Hadad CM, Dutta PK. Structure and vibrational spectra of mononitrated benzo[a]pyrenes. The Journal of Physical Chemistry. A. 110: 76-84. PMID 16392842 DOI: 10.1021/Jp054881D |
0.592 |
|
2004 |
Onchoke KK, Hadad CM, Dutta PK. Density functional theoretical study of nitrated polycyclic aromatic hydrocarbons Polycyclic Aromatic Compounds. 24: 37-64. DOI: 10.1080/10406630490277443 |
0.535 |
|
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