Yazar "Prasad O." için listeleme
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Conformational and spectroscopic behaviors of 2,4-xylyl isothiocyanate
Cinar M.; Karabacak M.; Chand S.; Shukla V.K.; Sinha L.; Prasad O.; Singh M.P.; Asiri A.M. (Elsevier, 2015)This study aims to identify the conformational and spectroscopic characteristics of 2,4-xylyl isothiocyanate (C<inf>9</inf>H<inf>9</inf>NS) compound via experimental and computational methods. To accomplish this, density ... -
An experimental and theoretical investigation of Acenaphthene-5-boronic acid: Conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra
Karabacak M.; Sinha L.; Prasad O.; Asiri A.M.; Cinar M. (Elsevier B.V., 2013)The solid state Fourier transform infrared (FT-IR) and FT-Raman spectra of Acenaphthene-5-boronic acid (AN-5-BA), have been recorded in the range 4000-400 cm1 and 4000-10 cm 1, respectively. Density functional theory (DFT), ... -
FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3,5-dimethyl-4-methoxybenzoic acid
Karabacak M.; Sinha L.; Prasad O.; Asiri A.M.; Cinar M.; Shukla V.K. (2014)Extensive spectroscopic investigations along with theoretical quantum chemical studies on 3,5-dimethyl-4-methoxybenzoic acid (DMMBA) have been consummated. The fundamental vibrational transitions were addressed by experimental ... -
Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations
Sinha L.; Karabacak M.; Narayan V.; Cinar M.; Prasad O. (2013)Gabapentin (GP), structurally related to the neurotransmitter GABA (gamma-aminobutyric acid), mimics the activity of GABA and is also widely used in neurology for the treatment of peripheral neuropathic pain. It exists in ... -
Spectral features, electric properties, NBO analysis and reactivity descriptors of 2-(2-Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies
Srivastava R.; Sinha L.; Karabacak M.; Prasad O.; Pathak S.K.; Asiri A.M.; Cinar M. (Elsevier, 2015)(Chemical Equation Presented). Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers, nuclear magnetic behaviors, electronic absorption spectra along with the nonlinear ...