Dr. Aniruddha Chakraborty

Papers of Dr. Diwaker

• Quantum chemical and spectroscopic investigations of (ethyl 4 hydroxy-3-((E)-(pyren-1-ylimino) methyl) benzoate) by DFT Method, Diwaker* & A. K. Gupta, Int. J. of Spectros., 2014, 841593 (2015).

• Spectroscopic (FT-IR, 1H, 13C NMR, UV), DOS and orbital overlap population analysis of copper complex of (E)-4- (2-(4-nitrophenyl) diazenyl)-N, N bis ((pyridin-2-yl) methyl) benzamine by DFT, Diwaker*, Spectrochimica Acta A 136, 1932 (2014).

• Quantum mechanical and spectroscopic (FT-IR, 1H, 13C NMR, UV) investigations of 2-(5-(4-Chlorophenyl)-3-(pyridin-2-yl)-4, 5-dihydropyrazol-1-yl) benzo [d] thiazole by DFT method, Diwaker*, Spectrochimica Acta Part A 128, 819 (2015).

• Spectroscopic (FT-IR, 1H, 13C NMR, UV-Vis) characterization and DFT studies of novel 8-((4-(methylthio)-2,5-diphenylfuran-3-yl)methoxy) quinoline, Diwaker*, C. S. C., Kumar, A Kumar. & S. D. Raju, Spectrochimica Acta A, 150, 602 (2015).

• Synthesis, spectroscopic characterization, electronic and optical studies of (2Z)-5,6-dimethyl-2-[(4-nitrophenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one, Diwaker*, C. S. C., Kumar, A. Kumar., S. D. Raju., C. K. Quah & H. K. Fun., J. Comput. Sci, 10, 237 (2015).

• Synthesis, spectroscopic characterization and computational studies of 2-(4-bromophenyl)-2-oxoethyl 3-methylbenzoate by DFT, Diwaker*, C. S. C., Kumar, A. Kumar., S. D. Raju., C. K. Quah & H. K. Fun, J. Mol. Struct., 1092,192 (2015).

• Avoided crossing in Lithium Chloride using MRCI and CASPT2 level of theory, Diwaker*, Rev. Theo. Sci., 4, 1 (2016).

• A DFT study of structural and electronic properties of Zn _1−x Sb _x Te with x = (0.25, 0.50, 0.75), Diwaker* & A. Kumar, Int. J. Mod. Phys. B, 31, 650249 (2017).