Density Functional Theory Calculations on Methylated β-Cyclodextrins
نویسندگان
چکیده
منابع مشابه
Density functional theory calculations of Rh-β-diketonato complexes.
Density functional theory (DFT) results on the geometry, energies and charges of selected Rh-β-diketonato reactants, products and transition states are discussed. Various DFT techniques are used to increase our understanding of the orientation of ligands coordinated to Rh, to identify the lowest energy geometry of possible geometrical isomers and to get a molecular orbital understanding of grou...
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ژورنال
عنوان ژورنال: Scientia Pharmaceutica
سال: 2010
ISSN: 0036-8709,2218-0532
DOI: 10.3797/scipharm.cespt.8.pot09