Search results for " coupling"
showing 10 items of 724 documents
H2O, H2, HF, F2 and F2O nuclear magnetic shielding constants and indirect nuclear spin–spin coupling constants (SSCCs) in the BHandH/pcJ‐n and BHandH…
2009
Good performance of segmented contracted basis sets XZP, where X = D, T, Q and 5, for obtaining H2O, H2, HF, F2 and F2O nuclear isotropic shielding constants in the BHandH Kohn–Sham basis set limit was shown. The results of two‐ and three‐parameter complete basis set limit extrapolation schemes were compared with experimental results, earlier literature data and benchmark ab initio results. Similar convergence patterns of shieldings obtained from calculations using general purpose XZP basis sets and from polarization‐consistent basis sets pcS‐n and pcJ‐n, where n = 0, 1, 2, 3 and 4, designed to accurately predict magnetic properties were observed. On the contrary, the SSCCs were more sensit…
Selective Stepwise Suzuki Cross-Coupling Reaction for the Modelling of Photosynthetic Donor−Acceptor Systems
2009
A Suzuki reaction performed as a selective stepwise substitution of two boryl groups on a diarylporphyrin precursor is reported for straightforward construction of a porphyrin trimer, modeling photosynthetic donor-acceptor systems.
Bloch mode coupling investigation in silicon-on-insulator W1 photonic crystal waveguide
2004
We report in this paper the study of a W1 photonic crystal waveguide which supports two Bloch modes having different parity. A monomode ridge waveguide etched in a Silicon-On-Insulator substrate and connecting to the photonic crystal waveguide allows us to excite the even Bloch mode. Transmission measurements, performed on a broad spectral range, evidence the even mode propagation along the defect line and experimental spectrum is discussed in light of band diagram and FDTD calculations. Then spectrally resolved near-field patterns obtained by using a scanning near field optical microscope in collection mode for wavelengths inside and outside the multimode region of the photonic crystal wav…
The embodied consciousness
2020
Consciousness is a polysemous concept including among others self-awareness (of his body ...), the awareness of the environment around us, the awareness of the other or even narrative awareness (a kind of inner monologue that can be part of more extended temporalities). To this list could be added the consciousness attached to each sensory organ in which visual perception would be overrepresented. Compared to the consciousness linked to vestibular sensory signals or proprioception (if however these can generate separate consciousnesses), "visual awareness" lends itself more easily to introspection. In Occident, all these consciousnesses generally refer to a knowledge of self by duplication …
Rapid odorant release in mammalian odour binding proteins facilitates their temporal coupling to odorant signals.
2010
; We have measured the effect of rat odorant-binding protein 1 on the rates of ligand uptake and liquid-to-air transfer rates with a set of defined odorous compounds. Comparison of observed rate constants (k(obs)) with data simulated over a wide range of different kinetic and thermodynamic regimes shows that the data do not agree with the previously held view of a slow off-rate regime (k(off) <0.0004 s(-1)). We propose that a rapid koff would be a necessary requirement for such a system, since slow odorant-release rates would result in significant decorrelation between the olfactory world and odour perception. (c) 2010 Elsevier Ltd. All rights reserved.
Time-dependent screening explains the ultrafast excitonic signal rise in 2D semiconductors
2020
We calculate the time evolution of the transient reflection signal in an MoS$_2$ monolayer on a SiO$_2$/Si substrate using first-principles out-of-equilibrium real-time methods. Our simulations provide a simple and intuitive physical picture for the delayed, yet ultrafast, evolution of the signal whose rise time depends on the excess energy of the pump laser: at laser energies above the A- and B-exciton, the pump pulse excites electrons and holes far away from the K valleys in the first Brillouin zone. Electron-phonon and hole-phonon scattering lead to a gradual relaxation of the carriers towards small $\textit{Active Excitonic Regions}$ around K, enhancing the dielectric screening. The acc…
Iron‐Catalyzed C(sp2)−C(sp3) Cross‐Coupling of Chlorobenzamides with Alkyl Grignard Reagents: Development of Catalyst System, Synthetic Scope, and Ap…
2019
Direct preparation of alkylated amide‐derivatives by cross‐coupling chemistry using sustainable protocols is challenging due to sensitivity of the amide functional group to reaction conditions. Herein, we report the synthesis of alkyl‐substituted amides by iron‐catalyzed C(sp2)−C(sp3) cross‐coupling of Grignard reagents with aryl chlorides. The products of these reactions are broadly used in the synthesis of pharmaceuticals, agrochemicals and other biologically‐active molecules. Furthermore, amides are used as versatile intermediates that can participate in the synthesis of valuable ketones and amines, providing access to motifs of broad synthetic interest. The reaction is characterized by …
ATLAS Inner Detector alignment and analysis of the Wtb vertex structure with single top quarks
2018
Esta tesis puede ser dividida en dos partes diferentes: La primera trata sobre el alineamiento del detector interno de ATLAS, y la segunda sobre el estudio de la estructura del vértice Wtb mediante el uso de quarks top producidos en solitario. La primera parte presenta las técnicas utilizadas para alinear el detector interno de ATLAS, así como las mejoras implementadas en algoritmo de alineamiento durante el Run-II del LHC. Durante la toma de datos, tienen lugar en el detector interno diversos movimientos y deformaciones dinámicos que comprometen la calidad de los datos recogidos. Los dos más relevantes son un movimiento vertical del detector de Píxeles, y el combado del IBL. En el alineami…
Ecology and extent of freshwater browning - What we know and what should be studied next in the context of global change
2022
Water browning or brownification refers to increasing water color, often related to increasing dissolved organic matter (DOM) and carbon (DOC) content in freshwaters. Browning has been recognized as a significant physicochemical phenomenon altering boreal lakes, but our understanding of its ecological consequences in different freshwater habitats and regions is limited. Here, we review the consequences of browning on different freshwater habitats, food webs and aquatic-terrestrial habitat coupling. We examine global trends of browning and DOM/DOC, and the use of remote sensing as a tool to investigate browning from local to global scales. Studies have focused on lakes and rivers while seldo…
Observation of Higgs boson production in association with a top quark pair at the LHC with the ATLAS detector
2018
Physics letters / B 784, 173 - 191 (2018). doi:10.1016/j.physletb.2018.07.035