A density functional theory investigation on 1H-4-germapyridine-4-ylidene & the unsaturated heterocyclic substituted ones

Zahra Rostami, Manzarbanou Asnaashariisfahani, Sheida Ahmadi, Akram Hosseinian, Abdol Ghaffar Ebadi

2021Journal of Molecular Structure13 citationsDOI

Topics & Concepts

ChemistryThiopheneAromaticityFuranDensity functional theoryNatural bond orbitalComputational chemistryCrystallographyPhospholePyrroleSubstituentSinglet stateMoleculeStereochemistryOrganic chemistryNuclear physicsPhysicsExcited stateN-Heterocyclic Carbenes in Organic and Inorganic ChemistryChemical Reaction MechanismsSynthesis and Properties of Aromatic Compounds

A density functional theory investigation on 1H-4-germapyridine-4-ylidene &amp; the unsaturated heterocyclic substituted ones

Topics & Concepts

A density functional theory investigation on 1H-4-germapyridine-4-ylidene & the unsaturated heterocyclic substituted ones