Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride

Synthesis, spectroscopic investigations, topological non-covalent interactions, chemical reactivity, molecular docking and molecular dynamic simulation on piperazine succinate - A potential antimicrobial compound

Biological and spectral studies of O-Tolyl Biguanide: Experimental and theoretical approach

Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

Effect of charge transfer with spectral analysis on the antibacterial compound 4-(Dimethyl amino) pyridine: 3,5-Dinitrobenzoic acid: Experimental and theoretical perspective

Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate