S. Sakthivel

Molecular structure, electronic properties, ESP map (polar aprotic and polar protic solvents) and topology investigation on 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid- Anticancer therapeutic agent

A. Irfan, S. Javed, H. Rajagopal, 2022, Journal of Molecular Structure.

Theoretical conformations studies on 2-Acetyl-gamma-butyrolactone structure and stability in aqueous phase and the solvation effects on electronic properties by quantum computational methods

A. Irfan, P. Prabakaran, S. Muthu, 2021, Computational and Theoretical Chemistry.

The chemical reactivity and antimalarial investigation of crystal structure (2E)-3-(biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one and hydroxyphenyl, nitrophenyl substituted chalcone derivative molecules

A. Irfan, S. Javed, B. Narayana, 2023, Journal of Molecular Structure.

Synthesis, Spectroscopic, Molecular Docking and inhibitory activity of 6-Bromo-2-(4-chlorophenyl)-1H-benzimidazole- a DFT approach

S. Muthu, F. Liakath Ali Khan, A. Irfan, 2022, Journal of Molecular Structure.

Generic Structures of Cytotoxic Liprotides: Nano‐Sized Complexes with Oleic Acid Cores and Shells of Disordered Proteins

D. Otzen, E. Permyakov, S. Permyakov, 2014, Chembiochem : a European journal of chemical biology.

Non-covalent interaction, adsorption characteristics and solvent effect of procainamide anti-arrhythmias drug on silver and gold loaded silica surfaces: SERS spectroscopy, density functional theory and molecular docking investigations

A. Al‐Saadi, S. Muthu, V. Vetrivelan, 2023, RSC advances.

Vibrational spectral and electronic properties, Topology studies and biological assay of a potent Anticonvulsant agent: Divalproex Sodium

S. Kadaikunnan, Ghulam Abbas, S. Muthu, 2023, Spectroscopy Letters.

Conformational Stability, Quantum Computational (DFT), Vibrational, Electronic and Non-covalent Interactions (QTAIM, RDG and IGM) of Antibacterial Compound N-(1-Naphthyl)ethylenediamine dihydrochloride

S. Javed, S. Sakthivel, V. Jothy, 2023, Journal of Molecular Structure.

Microscopic solvent-solute interactions, reactivity studies, structure properties and anti cancer activity of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine

S. Kadaikunnan, K. Potla, J.N. Cheerlin Mishma, 2024, Journal of Molecular Liquids.