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TitleAuthor(s)SourcePage(s)
Synthesis, characterization and DFT studies of 6,8-dichloro-2-(4-chlorophenyl)-4H-chromen-4-oneSawant, Arun B; Nirwan, Ramesh SIJPAP Vol.50(05) [May 2012]308-313
Comparative DFT study on reactivity, acidity and vibrational spectra of halogen substituted phenylacetic acidsSrivastava, Ambrish K; Baboo, Vikas; Narayana, B; Sarojini, B K; Misra, NeerajIJPAP Vol.52(08) [August 2014]507-519
Molecular structure and vibrational spectra of 2-chlorobenzoic acid by density functional theory and ab-initio Hartree-Fock calculationsSundaraganesan, N; Joshua, B Dominic; Radjakoumar, TIJPAP Vol.47(04) [April 2009]248-258
Quantum chemical calculations on the geometrical, conformational, spectroscopic (FTIR, FT-Raman) analysis and NLO activity of milrinone [5-cyano-2-methyl-(3,4'-bipyridin)-6(1h)-one] by using hartree-fock and density functional methodsEşme, AIJPAP Vol.55(07) [July 2017]478-489
Density, viscosity, DFT and FTIR study of tertiary butyl alcohol and ethanol with DMSO and DMF at room temperatureSawant, Arun B; Wagh, Sunil GIJPAP Vol.56(05) [May 2018]405-414
Vibrational spectroscopic investigations, DFT computations, nonlinear optical and other molecular properties of 3-bromo-5-fluorobenzonitrileJeyavijayan, S; Gobinath, E; Viswanathan, K; Kumar, J SenthilIJPAP Vol.56(02) [February 2018]108-118
Use of vibrational spectroscopy to study 1,3-dimethyl-5-nitrobenzene: A combined theoretical and experimental approachSeshadri, S; Padmavathy, MIJPAP Vol.56(11) [November 2018]902-913
Spectroscopic and quantum mechanical investigations of (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-phenylprop-2-enamide using density functional theory methodManthri, S Abbas; Muhamed, R Raj; Rajesh, R; Sathyanarayanamoorthi, VIJPAP Vol.56(01) [January 2018]34-47