Experimental and theoretical (DFT) investigation of crystallographic, spectroscopic and Hirshfeld surface analysis of anilinium arsenate
N. Kanagathara, F. MaryAnjalin, V. Ragavendran, D. Dhanasekaran, R. Usha, R. Gowri Shankar Rao, M.K. Marchewka
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryArsenateMolecular orbitalIntermolecular forceBasis setComputational chemistryMoleculeChemical physicsCrystallographyArsenicOrganic chemistryNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallographyCrystal structures of chemical compounds