Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5‑chloro-2‑hydroxy-3-methoxybenzaldehyde: A promising antitumor agent

A. Ram Kumar, L. Ilavarasan, G.P. Sheeja Mol, +8

Journal of Molecular Structure

Medicinal ChemistryPharmaceutical SciencePromising Antitumor AgentBiochemistryMedicine +7

A novel biogenic Allium cepa leaf mediated silver nanoparticles for antimicrobial, antioxidant, and anticancer effects on MCF-7 cell line

M. Mani, Mohammad K. Okla, S. Selvaraj, +9

Environmental Research

NanomedicineMedicinal ChemistryEngineeringMedicineBioactive Metal +9

Spectroscopic, Biological, and Topological Insights on Lemonol as a Potential Anticancer Agent

A. Ram Kumar, S. Selvaraj, Mohammad Azam, +4

ACS Omega

Monoterpene AlcoholMolecular RecognitionMedicinal ChemistryEngineeringBiochemistry +13

Structural (monomer and dimer), spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and solvent effect (polar and nonpolar) studies of 2‑methoxy-4-vinyl phenol

P. Rajkumar, S. Selvaraj, P. Anthoniammal, +3

Chemical Physics Impact

Multi-spectroscopic (FT-IR, FT-Raman, 1H NMR and 13C NMR) investigations on syringaldehyde

A. Ram Kumar, S. Selvaraj, K. S. Jayaprakash, +7

Journal of Molecular Structure

Molecular SpectroscopyBiochemistryNatural SciencesSpectroscopyInfrared Spectroscopy +4

Comparison of spectroscopic, structural, and molecular docking studies of 5-nitro-2-fluoroaniline and 2-nitro-5-fluoroaniline: An attempt on fluoroaniline isomers

A. Ram Kumar, S. Selvaraj, P. Anthoniammal, +4

Journal of Fluorine Chemistry

Medicinal ChemistryBiochemistryNatural SciencesMedicineFluorous Synthesis +6

Multi spectroscopic and computational investigations on the electronic structure of oxyclozanide

S. Selvaraj, A. Ram Kumar, T. Ahilan, +3

Journal of the Indian Chemical Society

EngineeringNatural SciencesSpectra-structure CorrelationStructure ElucidationComputational Chemistry +6

A new organic compound (C9H12N2O2): Crystal structure, characterization, Hirshfeld surface analysis, electronic properties, NLO properties, DFT calculation and molecular docking

P. Jayaprakash, S. Selvaraj, A. Ram Kumar

Solid State Sciences

Materials ScienceCrystal StructureEngineeringNew Organic CompoundOrganic Chemistry +5

Exploring the potential of diosgenin as a promising antitumor agent through comprehensive spectroscopic characterization, solvent–solute interactions, topological properties, Hirshfeld surface, and molecular docking interactions with 2NZT and 2I1V proteins

A. Ram Kumar, S. Selvaraj, A. S. Vickram, +5

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

Topological PropertiesMedicinal ChemistryBiochemistryNatural SciencesMolecular Docking Interactions +10

Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active -argininium methanesufonate

N. Kanagathara, M. Thirunavukkarasu, S. Selvaraj, +3

Journal of Molecular Liquids

EngineeringPharmacological StudiesBiochemistryStructural ElucidationNatural Sciences +6