Search Results - "Sachdeva, Ritika"
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Solving exact solution of time independent Schrodinger wave equation and visualizing eigenfunctions using XCOS
Published in Physica scripta (01-01-2024)“…Time independent Schrodinger wave equation (SWE) for a quantum system can be solved computationally which involves application of numerical method. Different…”
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Structure and vibrational spectroscopic study of alpha-tocopherol
Published in Journal of molecular structure (15-09-2017)“…We report here the vibrational and structural analysis of alpha-tocopherol. The vibrational analysis has been accomplished experimentally by infrared and Raman…”
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3
Effect of asymmetrical peripheral substitution of sulfonic acid group on the geometric and electronic structures and vibrations of copper phthalocyanine studied by computational and experimental techniques
Published in Journal of molecular structure (05-01-2019)“…The optimized geometry and vibrational frequencies of an organic compound copper phthalocyanine tetrasulfonic acid tetra sodium salt (CuPcTS) have been…”
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Computational study of effect of solvents on vibrational spectra of coumarin 500
Published in Computational and theoretical chemistry (15-04-2018)“…Interaction between coumarin 500 and methanol involving: (a) CO bond of ring A (b) NH bond of ethylamine group (c) CF bonds of CF3 group (d) CH bonds of ring B…”
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Effect of Pyridine on the Structure and Vibrations of Cobalt Phthalocyanine
Published in Materials today : proceedings (2020)“…Effect of pyridine on cobalt phthalocyanine (CoPc) has been studied by the density functional theory and Raman spectroscopy. Thermal evaporation method has…”
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Effect of aqueous medium on molecular structure, vibrations, electronic transitions and natural bond orbitals of carbamazepine: A DFT study
Published in Integrated ferroelectrics (22-11-2017)“…Effect of aqueous medium on the optimised parameters, vibrations, electronic transitions and bond orbitals of carbamazepine molecule has been reported using…”
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Experimental and Theoretical Vibrational Spectroscopic Analysis of Etoricoxib
Published in Materials today : proceedings (2020)“…Etoricoxib is one of the non-steroidal anti-inflammatory drug used primarily in the treatment of various types of arthritis. In this work, the vibrational…”
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Vibrational and electronic spectroscopic studies of melatonin
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (24-01-2014)“…[Display omitted] •IR spectra of melatonin in 3600–2700 and 1700–70cm−1 regions are reported.•Raman spectra recorded with 488 and 632.8nm excitations are also…”
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