نتایج جستجو برای: nics
تعداد نتایج: 516 فیلتر نتایج به سال:
در قسمت اول، خاصیت آروماتیسیته در خوشه های فلزی (x2m2:(si,ge , y:al,ga با گروههای تقارنی d2h وc2v ، خوشه های (b2xy(x:n,p , y:o,s,se و al2mn(m:c,si,ge , n:s,se) از دیدگاه نظری توسط شاخص های جابه جایی شیمیایی غیر وابسته ی هسته (nics)و سرعت – nics مورد بررسی قرار گرفت. با استفاده از روش های *hf/6-311+g و *b3lyp/6-311+g، ساختار مولکول ها بهینه و سپسnics و سرعت – nics آن ها محاسبه شد. در بررسی آروما...
KLAT2, Kentucky Linux Athlon Testbed 2, is a cluster of 64 (plus two ‘‘hot spare’’) 700MHz AMD Athlon PCs. The raw compute speed of the processors justifies calling the system a supercomputer, but these fast nodes must be mated with a high-performance network in order to achieve the balance needed to obtain speed-up on real applications. Usually, cluster networks are built by combining the fast...
A combined DFT, AIM and ELF study has been carried out on borazine and its heavier analogs containing both the pnictogens and chalcogens as the ring constituent. Compared to the pnictogen substituted rings, chalcogen substituted rings are found to be less aromatic. Except for a few systems, the computed aromatic stabilization energies (ASE) do not correlate with the NICS values. For these ring ...
The double-aromatic character of selected monocyclic carbon, boron, and borocarbon rings is demonstrated by refined nucleus-independent chemical shift (NICS) analyses involving the contributions of individual canonical MOs and their out-of-plane NICS tensor component (CMO-NICS(zz)). The double aromaticity considered results from two mutually orthogonal Hückel p AO frameworks in a single molecul...
This work introduces a new local aromaticity measure, defined as the mean of Bader's electron delocalization index (DI) of para-related carbon atoms in six-membered rings. This new electronic criterion of aromaticity is based on the fact that aromaticity is related to the cyclic delocalized distribution of pi-electrons. We have found that this DI and the harmonic oscillator model of aromaticity...
This paper describes a technique that identifies an ieee 802.11 frame’s source network interface card through passive radio-frequency analysis. Our approach, called paradis, leverages minute imperfections of transmitter hardware that are acquired at manufacture and are present even in otherwise identical nics. These imperfections are transmitterspecific and manifest themselves as artifacts of t...
The InfiniBand technology (IB) development community, e.g. Mellanox, Voltaire, Topspin, InfiniCon, etc. are deploying their next generation NICs and switches [1, 2, 3, 4, 5]. The NICs are based on the PCI Express bus and the switches employ a 24 port switch chip developed by Mellanox. This new switch chip has led to the development of high port count (e.g. 144 and 288 ports) standalone switches...
OBJECTIVE To quantitatively assess the imaging characteristics of sellar lesion in dual-energy computed tomography (CT) imaging for differentiation of sellar meningiomas and pituitary adenomas during the arterial phase (AP) and venous phase (VP). MATERIALS AND METHODS 51 patients with sellar/parasellar tumors (33 macroadenomas and 18 meningiomas) were examined with CT spectral imaging during ...
Preimplantation genetic screening (PGS) is widely used to select in vitro-fertilized embryos free of chromosomal abnormalities and to improve the clinical outcome of in vitro fertilization (IVF). A disadvantage of PGS is that it requires biopsy of the preimplantation human embryo, which can limit the clinical applicability of PGS due to the invasiveness and complexity of the process. Here, we p...
Using natural bond orbital theory, aromatic stabilisation energies (NBO-ASEs) were calculated for neutral and cationic monoheterocyclic three-membered rings C2H2X(R)n (X = group 14-17 elements of rows 3-5; R F, H or SiH3; n 0-2). Generally, there was a decrease in the (anti)aromatic nature molecule moving down as either stabilizing overlap (aromaticity) destabilising interactions (antiaromatici...
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