RETRACTED: Solvent role in molecular structure, thermodynamic quantities, reactions and electronic transitions (TDDFT) on 2-[piperidin-1-yl] phenol
M. Vimala, S. Stella Mary, Ahmad Irfan, S. Muthu
Topics & Concepts
Time-dependent density functional theoryHOMO/LUMOEnthalpyHeat capacityPolarChemistryDensity functional theoryEntropy (arrow of time)SolventElectronThermodynamicsComputational chemistryPhysicsMoleculeOrganic chemistryQuantum mechanicsPhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsNonlinear Optical Materials Research