Quantum Chemical, Vibrational Spectroscopic and Molecular Docking Studies of 1-(Diphenylmethyl)Piperazine - Raajaraman, B R.; Sheela, N. R.; Muthu, S. (Polycyclic aromatic compounds, 2022)
Keywords: Anticancer properties; Antitumor activity; Density functional theory; DFT; Dipole moments; Electrostatic properties; Energy value; Filaggrin; Ligands; MEP; Molecular docking; Molecular orbitals; NBO; NLO; Nonlinear optics; Optical properties; Piperazine; Polarizability; Proteins; Quantum chemistry; Stability analysis; TD-DFT