Recommanded Product: 3-Methyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about The transferability of the dynamic correlation energy in conjugated molecules. Author is Colle, Renato; Curioni, Alessandro.
The dynamic correlation energy of the ground state of organic conjugated mols., calculated using the Colle-Salvetti functional, has been decomposed into fragment contributions obtained by integrating the functional inside sep. fragment volumes defined as proposed by Bader. It is shown that these contributions, properly renormalized, can be utilized for predicting in a satisfactory way the total correlation energy of oligomers obtained by condensation of pyrrole and methane mols.
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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate