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RETRACTED: Quantum computational studies on optimization, donor-acceptor analysis and solvent effect on reactive sites, global descriptors, non-linear optical parameters of Methyl N-Boc-piperidine-3-carboxylate

M. Vimala, S. Stella Mary, Rongala Ramalakshmi, S. Muthu, R. Niranjana Devi, Ahmad Irfan

2021Journal of Molecular Liquids27 citationsDOI

Topics & Concepts

ChemistryDensity functional theoryPolarizable continuum modelNatural bond orbitalCarboxylateComputational chemistryHydrogen bondvan der Waals forceAntibonding molecular orbitalElectron densityMoleculeSolvent effectsSolventElectronStereochemistryAtomic orbitalOrganic chemistryPhysicsQuantum mechanicsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsOrganic Chemistry Cycloaddition Reactions
RETRACTED: Quantum computational studies on optimization, donor-acceptor analysis and solvent effect on reactive sites, global descriptors, non-linear optical parameters of Methyl N-Boc-piperidine-3-carboxylate | Litcius