نتایج جستجو برای: اوربیتال 5f
تعداد نتایج: 1432 فیلتر نتایج به سال:
SCs are a significant group of structurally various chemical compounds, and they were developed in the 1990s to obtain medical value THC. However, became as concern beginning 2000 [1].
The series of 6,7,8,9-tetrahydro-5H-5-(2'-hydroxyphenyl)-2-(4'-substituted benzylidine)thiazolo(2,3-b)quinazolin-3(2H)-ones (4a-j) and 6,7,8,9-tetrahydro-5H-5-(2'-hydroxyphenyl)-2-(4'-substituted benzylidine)-3-(4-nitrophenyl amino)thiazoloquinazolines (5a-j) were synthesized by the reported method and evaluated for their phosphodiesterase inhibitory activity. All test compounds exhibited good ...
BACKGROUND Retrograde advancement of microcatheters through septal/epicardial connectors can be challenging. Although several tricks might help to do so (e.g., balloon trap of retro wire in second guiding, balloon trap of retro wire in native coronary artery, and use of antegrade extension to approximate the antegrade conduit to the retrograde gear), these tricks cannot always be applied, espec...
Magnetic properties of uranium-based compounds are related to the character of the 5f electronic states, ranging between a localized character and itinerancy (see e.g. [1]). UFe2 is the first uranium compound reported to exhibit ferromagnetism [2]. The Curie temperature TC given by various authors differs in some extent, but remains in the vicinity of 160 K in most of cases (see [1] and referen...
The participation of the valence orbitals of actinides in bonding has been debated for decades. Recent experimental and computational investigations demonstrated the involvement of 6p, 6d and/or 5f orbitals in bonding. However, structural and spectroscopic data, as well as theory, indicate a decrease in covalency across the actinide series, and the evidence points to highly ionic, lanthanide-li...
We report on strongly anisotropic thermal-expansion and magnetostriction of UNiAl and UCoAl within the frame of the 5f -electron magnetism. Both the compounds crystallize in the hexagonal ZrNiAl-type structure and exhibit huge magnetocrystalline anisotropy with the c-axis as the easy magnetization direction. UNiAl orders antiferromagnetically (TN ≈ 19 K) and exhibits a field-induced metamagneti...
Relativistic DFT calculations are applied to some organo-neptunium (IV) complexes, Cp3NpIVX (Cp = η5-C5H5; X = BH4, Cl, OtBu, Ph, nBu), in order to understand their bonding properties between Np and the ligands. We employ scalar-relativistic ZORA Hamiltonian with all-electron basis set (SARC). The calculated electron densities at Np nucleus position in the complexes at B2PLYP / SARC theory stro...
We study the convergence problem in fully asynchronous, uni-dimensional robot networks that are prone to Byzantine (i.e. malicious) failures. In these settings, oblivious anonymous robots with arbitrary initial positions are required to eventually converge to an a apriori unknown position despite a subset of them exhibiting Byzantine behavior. Our contribution is twofold. We propose a determini...
در این تحقیق با استفاده از روش اربیتال گوسین کروی شناور (fsgo) پیوندهای پل در مولکولهایی با نقص الکترونی از قبیل c2h5, be2h4, lih2, b2h6 توصیف شده است . در جائیکه ساختمان تجربی وجود داشته باشد مبنا بر آن گذاشته شده است و در حالتی که هیچگونه ساختمان تجربی وجود نداشته باشد نتایج حاصله با نتایج محاسبات بسیار پیشرفته از مقالات برای مقایسه در نظر گرفته شده است . این پایان نامه در 4 فصل تنظیم شده است...
— The electronic structure of actinide monoxides AcO and dioxides Ac02 , where Ac = Th, U, Np, Pu, Am, Cm and Bk has been studied by molecular cluster methods based on the first-principles one-electron local density theory. Molecular orbitals for nearest neighbour clusters Ac06 and AcOs representative of monoxide and dioxide lattices were obtained using non-relativistic spin-restricted and spin...
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