Probing solvent effect and strong and weak interactions in 2-Nitrophenyl-hydrazine using independent gradient model and Hirshfeld from wave function calculation
S. Sarala, S. Geetha, S. Muthu, Ahmad Irfan
Topics & Concepts
Mulliken population analysisElectron localization functionChemistryElectron densityDensity functional theoryMoleculeComputational chemistryBasis setWave functionCovalent bondAtoms in moleculesMolecular orbitalFunction (biology)ElectronLaplace operatorPopulationChemical physicsMolecular physicsAtomic physicsPhysicsQuantum mechanicsOrganic chemistryDemographySociologyBiologyEvolutionary biologyNonlinear Optical Materials ResearchFree Radicals and AntioxidantsOrganic Chemistry Cycloaddition Reactions