Tejaswita Yadav

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FTIR spectra of nicotinamide and its N-oxide have been recorded and analyzed in the range 400-4000 cm(-1). The stabilities, optimized molecular geometries, APT charges and vibrational characteristics for the two possible conformers of nicotinamide and its N-oxide have been studied theoretically using restricted Hartree-Fock (RHF) and density functional(More)
Polymers are being used extensively in drug delivery due to their surface and bulk properties. They are being used in drug formulations and in drug delivery devices. These drug delivery devices may be in the form of implants for controlled drug delivery. Polymers used in colloidal drug carrier systems, consisting of small particles, show great advantage in(More)
Molecular modeling and potential energy scanning of histamine molecule, which is an important neurotransmitter, with respect to the dihedral angle of methylamine side chain have done which prefer three different conformers of histamine monomer. We have calculated molecular structures and vibrational spectra with IR and Raman intensities of these conformers(More)
Theoretical molecular structures and IR and Raman spectra of di and tetra methyl substituted tetrathiafulvalene and tetraselenafulvalene molecules have been studied. These molecules belong to the organic conductor family and are immensely used as building blocks of several organic conducting devices. The Hartree-Fock and density functional theory with(More)
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