نتایج جستجو برای: fe efg method
تعداد نتایج: 1699316 فیلتر نتایج به سال:
در این پایان نامه با حل معادله دیفرانسیل پواسون به بررسی رفتار مسائل آب در خاک پرداخته شده است. برای حل این معادله دیفرانسیل از روش بدون شبکه گالرکین (efg) استفاده شده و برنامه لازم به زبان برنامه نویسی fortran 90 تهیه گردیده است. برای برآورد دقت روش و برنامه نوشته شده، روابطی برای اندازه گیری مقدار خطا در هر نقطه انتگرال گیری تعریف شده است. سپس با تعریف یک تابع و حساب کردن مشتقات آن، طرف دوم ...
in this study a new simple selective and sensitive spectrophotometric procedure for determination of fe(iii) is described. it is based on the formation of a colored complex between ferric iron and ethyl maltol, a strong and highly selective ligand for fe(iii). after mixing sample and reagent, and incubating at the room temperature, fe(iii)-ethyl maltol complex was extracted with different solve...
abstract: systematic studies on the substituent effect in para substituted fe(co)4–pyridine complexes have been studied on the basis of dft quantum-chemical calculations. the following substituents were taken into consideration: no2, cn, cho, f, h, ch3, and oh. additionally, the fe–n and fe–c bonds were characterized on the basis of atoms in molecules topological analysis of electron density. i...
In this paper, we present a meshless method belonging to the family of element-free Galerkin (EFG) methods. The presented allows accurate enforcement essential boundary conditions. uses total Lagrangian formulation with explicit time integration facilitate code simplicity and robust computations in applications that involve large deformations non-linear materials. We use regularized weight func...
Iron (Fe) is required by plants for basic redox reactions in photosynthesis and respiration, and for many other key enzymatic reactions in biological processes. Fe homeostatic mechanisms have evolved in plants to enable the uptake and sequestration of Fe in cells. To elucidate the network of proteins that regulate Fe homeostasis and transport, we optimized the iTRAQ-OFFGEL method to identify an...
We report the results of a series of density functional theory (DFT) calculations aimed at predicting the (57)Fe Mössbauer electric field gradient (EFG) tensors (quadrupole splittings and asymmetry parameters) and their orientations in S = 0, (1)/(2), 1, (3)/(2), 2, and (5)/(2) metalloproteins and/or model systems. Excellent results were found by using a Wachter's all electron basis set for iro...
A molecular conformation study on three 3-monosubstituted derivatives o f propene has been carried out by evaluating the EFG at the site o f the halogen nucleus using a semi-empirical LCAO-MO-SCF method. Calculations are performed on several conformers at INDO and CNDO level, using “sp” and “spd” valence basis sets, with Slater type orbitals as the basis functions. The results obtained for vari...
The electric field gradient (efg) at the Nb site in the intermetallic compounds Nb3X (X = Al, In, Si, Ge, Sn) was measured by the Perturbed Angular Correlation (PAC) method using the wellknown gamma-gamma cascade of 133 482 keV inTa from the decay of Hf, substituting approximately 0.1 atom percent of Nb. The PAC results show that Vzz drops by nearly 40% when X changes from Al to In, and by abou...
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