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Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene

Chemical EngineeringAlie SurfaceEngineeringNatural SciencesChemical BondPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryMolecular Dynamic SimulationsMolecular DockingSpectra-structure Correlation