Organic Chemistry Frontiers · 2021 · 10 citations · 43 references
Natural SciencesChemistryComputational ChemistryOrganic ChemistryQuantum ChemistryAb Initio MethodsHeterocyclic ChemistryMolecular Orbital TheoryMolecular SymmetryRadical ReactionsThiazole Chemistry
Radical cations and dications of three isomeric bis[1]benzothieno[1,4]thiazines are (electro)chemically generated, spectroscopically characterized and assigned by (TD)DFT calculations.
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Density-functional thermochemistry. III. The role of exact exchange
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A new mixing of Hartree–Fock and local density-functional theories
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