S. Sylvestre

Study on conformational stability, molecular structure, vibrational spectra, NBO, TD-DFT, HOMO and LUMO analysis of 3,5-dinitrosalicylic acid by DFT techniques

S. Sebastian, S. Sylvestre, Jayaraman Jayabharathi et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 45 citations

Dft Techniques, Engineering, Biochemistry +8

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach

S. Sebastian, S. Sylvestre, N. Sundaraganesan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 34 citations

Molecular Spectroscopy, Vibrational Spectra, Engineering +9

Ag-TiO2@Pd/C nanocomposites for efficient degradation of Reactive Red 120 dye and ofloxacin antibiotic under UV and solar light and its antimicrobial activity

S. Ravikumar, Mani Durai, Mohammad Rizwan Khan et al. · Journal of environmental chemical engineering · 2021 · 33 citations

Chemical Engineering, Engineering, Photochemistry +8

Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

S. Sebastian, S. Sylvestre, D. Jayarajan et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 31 citations

Biochemistry, Medicine, Bioanalysis +8

Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of l-Asparagine Monohydrate by Density Functional Theory approach

S. Sylvestre, S. Sebastian, S. Edwin et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 26 citations

Td-dft Analysis, Molecular Spectroscopy, Physicochemical Analysis +5