Browsing Öksüz Yayınlar Koleksiyonu - WoS by Author "C, Kamal -- 0000-0002-6097-665X; Armakovic, Sanja -- 0000-0002-3665-1046; Armakovic, Stevan -- 0000-0002-8049-9969"
Now showing items 1-2 of 2
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A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene - A frequently used benzene derivative
Vennila, P.; Govindaraju, M.; Venkatesh, G.; Kamal, C.; Mary, Y. Sheena; Panicker, C. Yohannan; Kaya, S.; Armakovic, Stevan; Armakovic, Sanja J. (ELSEVIER SCIENCE BV, 2018)The coupled experimental and theoretical vibrational investigation of 2-bromo-1, 4-dichlorobenzene (BDB) molecule has been carried out and they have been duly compared with standard values in order to produce the reliability ... -
Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene
Venkatesh, G.; Kamal, C.; Vennila, P.; Govindaraju, M.; Mary, Y. Sheena; Armakovic, Stevan; Armakovic, Sanja J.; Kaya, S.; Panicker, C. Yohannan (ELSEVIER SCIENCE BV, 2018)The optimized molecular geometry, vibrational assessments, natural bond orbital (NBO) analyses for Tetra chloro p-xylene (TCPX) and Tetra chloro m-xylene (TCMX) were performed by B3LYP/6-311++G (d,p) functional. The ...