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Sert, Yusuf, Mahendra, M., Chandra, , Shivashankar, K., Puttaraju, K.B., Doğan, H., Çırak, Çagrı, Ucun, Fatih (2014) Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 109-118 doi:10.1016/j.saa.2014.02.125

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Reference TypeJournal (article/letter/editorial)
TitleVibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsSert, YusufAuthor
Mahendra, M.Author
Chandra, Author
Shivashankar, K.Author
Puttaraju, K.B.Author
Doğan, H.Author
Çırak, ÇagrıAuthor
Ucun, FatihAuthor
Year2014 (July)Volume128
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2014.02.125Search in ResearchGate
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Mindat Ref. ID16395401Long-form Identifiermindat:1:5:16395401:5
GUID0
Full ReferenceSert, Yusuf, Mahendra, M., Chandra, , Shivashankar, K., Puttaraju, K.B., Doğan, H., Çırak, Çagrı, Ucun, Fatih (2014) Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 109-118 doi:10.1016/j.saa.2014.02.125
Plain TextSert, Yusuf, Mahendra, M., Chandra, , Shivashankar, K., Puttaraju, K.B., Doğan, H., Çırak, Çagrı, Ucun, Fatih (2014) Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 109-118 doi:10.1016/j.saa.2014.02.125
In(2014) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 128. Elsevier BV

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Sert, Yusuf, Miroslaw, Barbara, Çırak, Çağrı, Doğan, Hatice, Szulczyk, Daniel, Struga, Marta (2014) Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 91-99 doi:10.1016/j.saa.2014.02.134
Sert, Yusuf, Puttaraju, K.B., Keskinoğlu, Sema, Shivashankar, K., Ucun, Fatih (2015) FT-IR and Raman vibrational analysis, B3LYP and M06-2X simulations of 4-bromomethyl-6-tert-butyl-2H-chromen-2-one. Journal of Molecular Structure, 1079. 194-202 doi:10.1016/j.molstruc.2014.09.043
Chandra, , Puttaraju, K. B., Shivashankar, K., Jithesh Babu, E. A., Mahendra, M. (2013) 2-Trifluoromethyl-10H-benzo[4,5]imidazo[1,2-a]pyrimidin-4-one. Acta Crystallographica Section E Structure Reports Online, 69 (10). doi:10.1107/s160053681302401x
Sert, Yusuf, Singer, L.M., Findlater, M., Doğan, Hatice, Çırak, Ç. (2014) Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128. 46-53 doi:10.1016/j.saa.2014.02.114
Çırak, Çağrı, Sert, Yusuf, Ucun, Fatih (2013) Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 113. 130-136 doi:10.1016/j.saa.2013.04.102
Çırak, Çağrı, Sert, Yusuf, Ucun, Fatih (2014) Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 127. 41-46 doi:10.1016/j.saa.2014.02.017
Sert, Yusuf, Çırak, Çağrı, Ucun, Fatih (2013) Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 107. 248-255 doi:10.1016/j.saa.2013.01.046
Çırak, Çağrı, Sert, Yusuf, Ucun, Fatih (2012) Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2′-deoxyuridine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 92. 406-414 doi:10.1016/j.saa.2012.02.053
Sert, Yusuf, Balakit, Asim A., Öztürk, Nuri, Ucun, Fatih, El-Hiti, Gamal A. (2014) Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 131. 502-511 doi:10.1016/j.saa.2014.04.105
Chandra, , Kumar., Shamantha, Puttaraju, K. B., Shivashankar, K., Mahendra, M. (2015) Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one. Acta Crystallographica Section E Crystallographic Communications, 71 (9). doi:10.1107/s2056989015014425
Sert, Yusuf, Mahendra, M., Keskinoğlu, S., Chandra, , Srikantamurthy, N., Umesha, K.B., Çırak, Ç. (2015) FT-IR, Laser-Raman spectra and computational analysis of 5-Methyl-3-phenylisoxazole-4-carboxylic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 139. 145-155 doi:10.1016/j.saa.2014.12.023
 
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