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The Impact of Solvent Polarity on the Stability, Electronic Properties, and 1H NMR Chemical Shift of the Conformers of 2-Chloro-3-Methylcyclohexan-1-One Oxime: a Conceptual DFT Approach

Neda Najjari Milani, Reza Ghiasi, Ali Forghaniha

2020Journal of Applied Spectroscopy24 citationsDOI

Topics & Concepts

Conformational isomerismPolarizable continuum modelNatural bond orbitalSolvent effectsPolarizabilityComputational chemistryChemistryOximeDipoleMoleculeAtomic orbitalSolventDielectricPhysical chemistryChemical shiftDensity functional theoryMaterials scienceOrganic chemistryElectronPhysicsQuantum mechanicsOptoelectronicsFree Radicals and AntioxidantsChemical Reaction MechanismsPhotochemistry and Electron Transfer Studies
The Impact of Solvent Polarity on the Stability, Electronic Properties, and 1H NMR Chemical Shift of the Conformers of 2-Chloro-3-Methylcyclohexan-1-One Oxime: a Conceptual DFT Approach | Litcius