S. Lalitha

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In this work, FT-IR and FT-Raman spectra are recorded on the solid phase of 5-nitro-2-furoic acid (abbreviated as NFA) in the regions 4000-400 cm(-1) and 3500-100 cm(-1) respectively. The geometrical parameters, vibrational assignments, HOMO-LUMO energies and NBO calculations are obtained for the monomer and dimer of NFA from HF and DFT (B3LYP) with(More)
Thin films of CdTe were deposited on glass substrates by thermal evaporation. From the XRD measurements it is found that the films are of zinc-blende-type structure. The lattice parameter was determined as a 1⁄4 6:529 Å, which is larger than 6.48 Å of the powder sample, because the recrystallized lattice of the grown films is subjected to a compressive(More)
The FT-IR and FT-Raman spectra of 2,6-Bis(chloromethyl)pyridine (BCMP) have been recorded in the regions 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The total energy calculations of BCMP were tried for the possible rotational isomers. The molecular structure, geometry optimization, vibrational frequencies were obtained by the HF and density(More)
The present study is aimed at developing wasteland through exploitation of Rhizobium and Glomus fasciculatum in association with Acacia mellifera and also identifying the optimum biomass accumulation in Acacia mellifera supplemented with nitrogen and phosphorus at five different dose rates (0,50,100,150 and 200 mg/kg of soil).The entire study was designed(More)
Rapid, simple, sensitive and accurate spectrophotometric methods have been developed for the determination of Trimetazidine in pure and pharmaceutical formulations. Various methods were developed for estimation of trimetazidine .but a simple extractive photometric method using has not been developed .This method is based on the formation of chloroform(More)
Quantum mechanical calculations of energies, geometries, and vibrational wavenumbers of N-(bromomethyl)phthalimide and N-(chloromethyl)phthalimide are carried out using density functional theory (DFT/B3LYP) method with 6-31G and 6-311G(d,p) basis sets. The optimized geometrical parameters obtained by B3LYP method show good agreement with experimental data.(More)
The FT-IR and FT-Raman spectra of 4-(dimethylamino) pyridine (4DMAP) have been recorded in the region 4000-500 cm(-1)and 3500-100 cm(-1). Quantum chemical calculations of energy, geometry and vibrational wavenumbers of 4DMAP were carried out by using ab initio HF and density functional theory (DFT/B3LYP) with complete relaxation in the potential energy(More)