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Exceptional bifurcated chalcogen bonding interaction between Ph2N2O2 and only one σ–hole on XCY (X=S, Se, Te and Y=O, S, Se, Te): a DFT study

Shokofeh Massahi, Masoud Ghobadi, Mohsen Nikoorazm

2020Theoretical Chemistry Accounts10 citationsDOI

Topics & Concepts

ChalcogenNatural bond orbitalChemistryAtom (system on chip)Quantum chemicalDensity functional theoryElectron densityInteraction energyComputational chemistryCrystallographyElectrostatic interactionElectronChemical physicsMoleculePhysicsQuantum mechanicsOrganic chemistryEmbedded systemComputer scienceCrystallography and molecular interactionsNonlinear Optical Materials ResearchOrganic and Molecular Conductors Research
Exceptional bifurcated chalcogen bonding interaction between Ph2N2O2 and only one σ–hole on XCY (X=S, Se, Te and Y=O, S, Se, Te): a DFT study | Litcius