Abstract In this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na 3 Bi using a time-dependent density functional theory framework, focusing on effect spin-orbit coupling (SOC) harmonic response. We also derived an analytical model describing microscopic mechanism strong-field dynamics presence coupling, starting from lo...

BACKGROUND Cerebral white matter hyperintensities (WMHs) on MRI are common and associated with vascular and functional outcomes. However, the relationship between WMHs and longitudinal trajectories of functional status is not well characterized. We hypothesized that whole brain WMHs are associated with functional decline independently of intervening clinical vascular events and other vascular r...

ABR mechanism was designed for controlling the traffic flows in ATM networks. The key factor for efficient and stable controlling of traffic control loops is fast transfer of feedback control information from the network back to the traffic source. In ABR mechanism so-called Resource Management (RM) cells are used for this purpose. Limited number of these control cells is especially noticeable ...

BACKGROUND Although a robust association between socioeconomic status and health has been shown in past research, the processes that explain the connection are not well understood. This paper seeks to advance such understanding in two ways, first by attending to the distinction between onset of a functional health problem and its progression, and second by addressing whether and how education a...

Abstract In this article we report that a cationic version of Akiba's Bi III complex catalyzes the reduction amides to amines using silane as hydride donor. The catalytic system features low catalyst loadings and mild conditions, en route secondary tertiary aryl‐ alkylamines. tolerates functional groups such alkene, ester, nitrile, furan thiophene. Kinetic studies on reaction mechanism result i...

in this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-ca) to convert carbon dioxide to bicarbonate ion. density functional theory (dft) using b3lyp and ub3lyp functional and three split-valance including 6-31g*, 6-311g** and 6-311++g** basis sets were used to calculate the details of electronic structure and electronic energy of act...

the mono-metallic and bi-metallic catalysts have been prepared by impregnating with solutions containing a compound of h2ptcl6,wo3 and 1ml hcl (0.1 mol). it should be noted that the catalysts’ activity and selectivity have been determined under these conditions : 450-5000c ,and 15-25atm by h2. for converting n-heptane , the molar ratio h2/c7h16 is 5 , and lhsv is 1.5ml/h. it has been proved tha...