Computational investigation, effects of polar and non-polar solvents on optimized structure with topological parameters (ELF, LOL, AIM, and RDG) of three glycine derivative compounds
Thirunavukkarasu Manickavelu, Balaji Govindrajan, Muthu Sambantham, Prabakaran Panneerselvam, Ahmad Irfan
Topics & Concepts
ChemistryPolarDensity functional theoryComputational chemistryTopology (electrical circuits)Conformational isomerismRaman spectroscopyDelocalized electronMoleculeOrganic chemistryOpticsPhysicsMathematicsAstronomyCombinatoricsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsMolecular spectroscopy and chirality