The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3-Methyl-1H-pyrrole(SMILESS: CC1=CNC=C1,cas:616-43-3) is researched.Product Details of 60827-45-4. The article 《The transferability of the dynamic correlation energy in conjugated molecules》 in relation to this compound, is published in Chemical Physics Letters. Let’s take a look at the latest research on this compound (cas:616-43-3).
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