Organic Letters · 2011 · 41 citations · 23 references
Natural SciencesChemistryInorganic ChemistryOrganic ChemistryQuantum ChemistryChemical BondingCoordination ChemistryElectronic EffectsElectronic StructureHeterocyclic ChemistryMolecular Orbital TheoryImidazole ChemistryPyrazole ChemistryPyridine ChemistryPyrrole ChemistryReactivityStructure-reactivity Relationships
It has been suggested that pyridine and pyrrole could be patterns for imidazole reactivity studies due to the amine (-NH-) and aza (-N═) nitrogen atoms. The analyses of the local and global electronic indexes prove and quantify that imidazole has an intermediate analogy between pyrrole and pyridine.
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Density-functional theory of atoms and molecules
James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations
Natural Sciences, Chemistry, Physics +12
<b>Hard and Soft Acids and Bases</b>
Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations