نتایج جستجو برای: and 29si chemical shift
تعداد نتایج: 16882937 فیلتر نتایج به سال:
ectopic cervical thymus (ect) is an essentially benign condition that is identified during the development of the thymus, and is rare among the adult population. thymic hyperplasia is another thymus-associated condition, which is known to occur secondary to hyperthyroidism. a 39-year-old woman with hyperthyroidism presented with an enlarging submandibular mass, which was diagnosed as a benign h...
calixarenes are a readily available and important class of macrocycles in supramolecularchemistry. calixarenes have generated considerable interest due to their basket shaped structureand as useful building blocks to synthesize selective receptors for the guest species, notably alkali,alkaline earth, lanthanide and transition metal cations. in this work studied on the complexingproperties of a ...
hartree-fock (hf) and density functional theory (dft) methods employed to study the effect of conformational change on the 13c chemical shifts of 6-mono axial and equatorial substituted and 6,7-di axial-axial, equatorial-equatorial and axial-equatorial substitutedderivatives of 5,6,7,8-tetrahydrodibenzo[a,c]cyclo-octene. the geometry of the conformers have been optimized in the gas phase employ...
In this research at the first fluoxetine drug and its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η), Thermodynamic Properties was determi...
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