نتایج جستجو برای: effective atomic number and electron density
تعداد نتایج: 17027639 فیلتر نتایج به سال:
in this thesis, phosphorus ylides [phbppy], [no2bppy] and [brbppy] have been synthesized through the formation of phosphonium salt and dihydrogenation, followed by the reaction of pd(oac)2 and the orthopalladated dinuclear complexes [pd(?-cl)(phbppy)]2, [pd(?-cl)(no2bppy)]2 and [pd(?-cl)(brbppy)]2 have been produced. the reaction of dinuclear complexes and bidentate ligands [l = bipy (2,2-bipyr...
In this paper, the nucleation and growth of diamond/diamond-like coatings on austenitic (AISI 316) and ferritic (AISI 430) stainless steel substrates have been investigated using torch technique. The effects of substrate surface preparation has also been studied. The quality of coatings produced has been examined using optical and scanning electron microscopy, X-ray diffraction, Raman spectros...
for obtaining reservoir petrophysical properties, for example porosity, non-destructive methods such as x-ray computed tomography, ct, seems to be precise and accurate. porosity is deducted from the ct image with a single scan via different techniques, such as pore space detection by image segmentation techniques then correlation with porosity. more than one hundred samples with carbonate li...
The density of atomic systems is analysed via the Single-Exponential Decay Detector (SEDD). SEDD is a scalar field designed to explore mathematical, rather than physical, properties of electron density. Nevertheless, it has been shown that SEDD can serve as a descriptor of bonding patterns in molecules as well as an indicator of atomic shells [P. de Silva, J. Korchowiec, and T. A. Wesolowski, C...
for obtaining reservoir petrophysical properties, for example porosity, non-destructive methods such as x-ray computed tomography, ct, seems to be precise and accurate. porosity is deducted from the ct image with a single scan via different techniques, such as pore space detection by image segmentation techniques then correlation with porosity. more than one hundred samples with carbonate litho...
Electron localizability indicators based on the same-spin electron pair density and the opposite-spin electron pair density are studied for correlated wavefunctions of the argon atom. Different basis sets and reference spaces are used for the multireference configuration interaction method following the complete active space calculations aiming at the understanding of the effect of local electr...
The electron density and electrostatic potential in an aldose reductase holoenzyme complex have been studied by density functional theory (DFT) and diffraction methods. Aldose reductase is involved in the reduction of glucose in the polyol pathway by using NADPH as a cofactor. The ultra-high resolution of the diffraction data and the low thermal-displacement parameters of the structure allow ac...
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