Author

S. Sylvestre

Institution: Mukuba University

Observed institutions: DMI St. Eugene University, Mukuba University, Texila American University Zambia

ORCID: 0000-0002-0217-7809

Observed ORCID: 0000-0002-0217-7809

OpenAlex ID: A5071749469

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

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

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

2021 · S. Ravikumar, Durai Mani, et al. · Journal of environmental chemical engineering · 38

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

2013 · S. Sebastian, S. Sylvestre, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 37

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

2012 · S. Sebastian, S. Sylvestre, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 32

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

2014 · S. Sylvestre, S. Sebastian, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 27

Experimental (FT-IR, FT-Raman and UV–Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine

2012 · S. Sylvestre, S. Sebastian, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 21

Influence of Ce3+ (Rare Earth Element) on the Structural, Morphological, Impedance, Binding Energy and Ferrimagnetic Properties of Spinel ZnFe2O4 Nanoparticles Fabricated by the Coprecipitation Method: Antibacterial Activity

2022 · A. Prakash, R. Sagayaraj, et al. · Chemistry Africa · 20

Synthesis, characterization of porphyrin and CdS modified spherical shaped SiO2 for Reactive Red 120 degradation under direct sunlight

2020 · Balu Krishnakumar, S. Ravikumar, et al. · Journal of Molecular Structure · 17

Conformational analysis, molecular structure, spectroscopic, NBO, reactivity descriptors, wavefunction and molecular docking investigations of 5,6-dimethoxy-1-indanone: A potential anti Alzheimer's agent

2022 · S. Sebastian, S. Sylvestre, et al. · Heliyon · 16

Molecular structure, vibrational spectra and first-order hyperpolarisability analysis of 2-amino-6-nitrobenzothiazole by DFT method

2013 · S. Sebastian, S. Sylvestre, et al. · Molecular Simulation · 7

A numerical study of an autothermal reformer for the production of hydrogen from Iso-octane

2007 · S. Sylvestre · QSpace (Queen's University Library) · 3

Structural, Spectroscopic, Thermal, Wavefunction, DFT, Antibacterial and Molecular Docking Investigations on Ethyl 3,4-dihydroxy Benzoate: A Promising Anticancer Agent

2026 · S. Asokan, S. Sebastian, et al. · Asian Journal of Chemistry

Works count: 12

Citation count: 263

H-index: 9

I10-index: 9