Comparison of experimental and theoretical spectral groups, electronic properties, topological, and molecular docking investigations of 1-N-Cbz-piperidine-4-carboxylic acid- Potential Cancer drug
S. Janani, Hemamalini Rajagopal, S. Sakthivel, Shine Kadaikunnan, Ghulam Abbas, S. Muthu
Topics & Concepts
ChemistryBasis setDensity functional theoryComputational chemistryMolecular orbitalPiperidineExcited stateNatural bond orbitalDocking (animal)Raman spectroscopyMolecular dynamicsHOMO/LUMOTopology (electrical circuits)MoleculeStereochemistryOrganic chemistryAtomic physicsQuantum mechanicsMathematicsMedicinePhysicsCombinatoricsNursingSynthesis and biological activityNonlinear Optical Materials ResearchMetal complexes synthesis and properties