Search results for "COUPLING"
showing 10 items of 1862 documents
Silence of Binary Kerr Black Holes
2020
A nontrivial S matrix generally implies a production of entanglement: starting with an incoming pure state, the scattering generally returns an outgoing state with nonvanishing entanglement entropy. It is then interesting to ask if there exists a nontrivial S matrix that generates no entanglement. In this Letter, we argue that the answer is the S-matrix for the scattering of classical black holes. We study the spin entanglement in the scattering of arbitrary spinning particles. Augmenting the S-matrix with Thomas–Wigner rotation factors, we derive the entanglement entropy from the gravitational induced 2→2 amplitude. In the Eikonal limit, we find that the relative entanglement entropy, defi…
Meson-retardation effects in deuteron photodisintegration below ?-threshold
1989
Mesor-retardation effects in photodisintegration of the deuteron below pion threshold are studied by constructing retarded one-boson-exchange potentials using time-dependent non-covariant perturbation theory. The corresponding retarded meson-exchange currents including retarded vertex currents are derived analogously by gauge-invariant minimal coupling. It is found that retardation effects in the wave functions and in the electromagnetic currents as well have a significant influence on total and differential cross sections.
Research of Tool-Coupling Based Electro-hydraulic System Development Method
2015
This paper introduces a new kind of tool-coupling based electro-hydraulic system development method including designing character-oriented electro-hydraulic system development and design procedure, co-simulation based system coupling strategy, client-server model management method. An integrated development platform is designed for co-simulation among AMESim, Matlab\Simulink, Flowmaster, Saber and Simplorer. The platform can manage each simulator’s models and co-simulation procedure. The result illustrates tool coupling based electro-hydraulic system development method can improve the efficiency of multi-team collaborative design for electro-hydraulic system and also can analyze and evaluat…
Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and …
2014
Abstract Density functional theory (DFT) prediction of cis and trans perhydro- and perfluoro-2-methylene-4,5-dimethyl-1,3-dioxolanes structure, supported by vibrational analysis and calculation of multinuclear isotropic nuclear magnetic resonance (NMR) shieldings and indirect spin–spin couplings (SSCCs) was performed. The performance of the used methodology was verified on 1,3-dioxolane selected as model compound. The structures of hydrogenated and fluorinated monomers of POF materials were calculated using B3LYP and BLYP density functionals combined with 6-311 ++ G(3df,2pd) basis set. The BLYP/6-311++G(3df,2pd) level of theory was suggested for vibrational analysis. Gauge independent atomi…
A New Heterogeneous Catalyst Obtained via Supramolecular Decoration of Graphene with a Pd2+ Azamacrocyclic Complex
2019
A new G-(H2L)-Pd heterogeneous catalyst has been prepared via a self-assembly process consisting in the spontaneous adsorption, in water at room temperature, of a macrocyclic H2L ligand on graphene (G) (G + H2L = G-(H2L)), followed by decoration of the macrocycle with Pd2+ ions (G-(H2L) + Pd2+ = G-(H2L)-Pd) under the same mild conditions. This supramolecular approach is a sustainable (green) procedure that preserves the special characteristics of graphene and furnishes an efficient catalyst for the Cu-free Sonogashira cross coupling reaction between iodobenzene and phenylacetylene. Indeed, G-(H2L)-Pd shows an excellent conversion (90%) of reactants into diphenylacetylene under mild conditio…
New concepts in multidentate ligand chemistry: effects of multidentarity on catalytic and spectroscopic properties of ferrocenyl polyphosphines.
2008
This tutorial review devoted to ligand chemistry deals with the design and properties of ferrocenyl polyphosphines, an original class of multidentate ligands. The development of a varied library of ferrocenyl tetra-, tri- and diphosphine ligands is reviewed. The multidentate nature of these species has led to unique spectroscopic and catalytic properties, in which the spatial proximity of phosphorus atoms is crucial. Regarding their catalytic applications, the key issues of catalyst longevity and ultralow catalyst loadings are discussed. Another part is concerned with fundamental advances gained in physical chemistry for structure elucidation by the study of the intriguing “through-space” N…
A Unique Discrete Tetranuclear Cu′–Cu(N-N)2Cu–Cu′ Copper(II) Complex, Built from a μ3-1,2,4-Triazolato-μ-carboxylato Ligand, as an Effective DNA Clea…
2012
The title compound, characterized by means of an X-ray structure analysis, represents an easy example of a noncatena "1 + 2 + 1" tetranuclear copper(II) μ(3)-triazolate compound. [Cu(4)(atc)(2)(dien)(4)(ClO(4))(2)](ClO(4))(2)·2H(2)O (1), where H(2)atc = 5-amino-l,2,4-triazole-3-carboxylic acid and dien = diethylenetriamine = 1,4,7-triazaheptane, contains two copper atoms linked by a double diazinic bridge, each of which is further connected to a third and fourth copper atom (Cu') through the triply bridging triazolato ring and the bidentate carboxylato group of the atc(2-) ligands. The copper-copper distances within the tetranuclear unit are Cu-Cu = 4.059 Å, Cu-Cu' = 5.686 and 6.370 Å, and …
Surface plasmons and vibrations of self-assembled silver nanocolumns
2006
6 pags. ; 5 figs. 1 tab.
What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling.
2020
ARTYKUŁ Z BADAŃ SPECJALNYCH
On novel magnetic probe for fullerene characterization: Theoretical studies on NMR parameters of free and confined in fullerenes HD and H2 molecules
2015
Chemical characterization and separation of individual fullerenes from a raw reaction mixture need new and efficient tools, including rapid spectroscopic techniques. Recent "molecular surgery" synthesis of endohedral complexes of fullerenes with selected atoms and small molecules has opened a new path for experimental and theoretical studies on structural and spectroscopic properties of these molecular systems. Among them are fullerenes with molecular hydrogen confined within a nanoscale cavity. In this work we report on quantum-chemical prediction of nuclear magnetic shielding (and chemical shift) and indirect spin-spin coupling constant in free HD and H2 molecules, as well as models of co…