S. Dheivamalar

Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations

V. Krishnakumar, S. Dheivamalar, R. John Xavier et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2005 · 86 citations

Molecular Spectroscopy, Vibrational Spectra, Natural Sciences +5

Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile

V. Krishnakumar, S. Dheivamalar · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2008 · 54 citations

Raman Spectra, Fourier Transform, Natural Sciences +9

A DFT study on functionalization of acrolein on Ni-doped (ZnO)6 nanocluster in dye-sensitized solar cells

S. Dheivamalar, K Bansura Banu · Heliyon · 2019 · 45 citations · Full text

Materials Science, Engineering, Nanocluster +10

Effect of Mg doping level on the antibacterial activity of (Mg + F)-doped ZnO nanopowders synthesized using a soft chemical route

K. Ravichandran, S. Snega, N. Jabena Begum et al. · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2014 · 33 citations

Materials Science, Inorganic Chemistry, Chemical Engineering +12

Density functional theory (DFT) investigations on doped fullerene with heteroatom substitution

S. Dheivamalar, L. Sugi · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 29 citations

Organic Charge-transfer Compound, Engineering, Heteroatom Substitution +9