Search results for "16."
showing 10 items of 7809 documents
Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties
2015
Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup>…
The transition state and cognate concepts
2019
Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…
Extensions and corona decompositions of low-dimensional intrinsic Lipschitz graphs in Heisenberg groups
2020
This note concerns low-dimensional intrinsic Lipschitz graphs, in the sense of Franchi, Serapioni, and Serra Cassano, in the Heisenberg group $\mathbb{H}^n$, $n\in \mathbb{N}$. For $1\leq k\leq n$, we show that every intrinsic $L$-Lipschitz graph over a subset of a $k$-dimensional horizontal subgroup $\mathbb{V}$ of $\mathbb{H}^n$ can be extended to an intrinsic $L'$-Lipschitz graph over the entire subgroup $\mathbb{V}$, where $L'$ depends only on $L$, $k$, and $n$. We further prove that $1$-dimensional intrinsic $1$-Lipschitz graphs in $\mathbb{H}^n$, $n\in \mathbb{N}$, admit corona decompositions by intrinsic Lipschitz graphs with smaller Lipschitz constants. This complements results that…
Removing the saturation assumption in Bank-Weiser error estimator analysis in dimension three
2020
International audience; We provide a new argument proving the reliability of the Bank-Weiser estimator for Lagrange piecewise linear finite elements in both dimension two and three. The extension to dimension three constitutes the main novelty of our study. In addition, we present a numerical comparison of the Bank-Weiser and residual estimators for a three-dimensional test case.
Promotion et Développement d'un Master Erasmus Mundus - L'Exemple du VIBOT
2011
Cet article decrit l’offre de formation a l’internationale proposee au Centre Universitaire Condorcet du Creusot (Universite de Bourgogne) dans le domaine de la vision par ordinateur et de la robotique. Il presente l’organisation particuliere de ces formations et les actions de support mises en place pour en assurer la perennite.
Experimental and numerical investigation on a new FSW based metal to composite joining technique
2018
Abstract In the last decades, different techniques were proposed to join aluminum sheets with composites materials. Each of them has advantages and weak points over the others and new techniques and patents are continuously developed to overcome these difficulties. In this paper an experimental and numerical investigation on a new Friction Stir Welding based approach to mechanically join AA6082-T6 to self-reinforced polypropylene is presented. The aluminum sheet is pre-holed along both the sides of the weld line and a pinless tool generates the heat and pressure needed to prompt back-extrusion of the composite. New experimental fixtures and hole designs were investigated in order to enhance…
Evaluation and Comparison of Novel Precursors for Atomic Layer Deposition of Nb2O5 Thin Films
2012
Atomic layer deposition (ALD) of Nb2O5 thin films was studied using three novel precursors, namely, tBuN═Nb(NEt2)3, tBuN═Nb(NMeEt)3, and tamylN═Nb(OtBu)3. These precursors are liquid at room temperature, present good volatility, and are reactive toward both water and ozone as the oxygen sources. The deposition temperature was varied from 150 to 375 °C. ALD-type saturative growth modes were confirmed at 275 °C for tBuN═Nb(NEt2)3 and tBuN═Nb(NMeEt)3 together with both oxygen sources. Constant growth rate was observed between a temperature regions of 150 and 325 °C. By contrast, amylN═Nb(OtBu)3 exhibited limited thermal stability and thus a saturative growth mode was not achieved. All films we…
Steering the excited state dynamics of a photoactive yellow protein chromophore analogue with external electric fields
2014
Abstract The first excited state of the Photoactive Yellow Protein chromophore exhibits a strong charge transfer character and the dipole moments of the excited and ground states differ significantly. Furthermore, the excited state charge distribution changes during the isomerization of this chromophore. These observations suggest that external electric fields can be used to control photo-isomerization, providing a new concept for developing photochromic devices, such as e-paper or optical memory. To test this idea, we performed excited state dynamics simulations and static calculations of a PYP chromophore analogue (pCK − ) in an external electric field. By adjusting direction and strength…
Catalytic epoxidation using dioxidomolybdenum(VI) complexes with tridentate aminoalcohol phenol ligands
2019
Reaction of the tridentate aminoalcohol phenol ligands 2,4-di-tert-butyl-6-(((2 hydroxyethyl)(methyl)amino)methyl)phenol (H2L1) and 2,4-di-tert-butyl-6-(((1-hydroxybutan-2-yl)amino)methyl)phenol (H2L2) with [MoO2(acac)2] in methanol solutions resulted in the formation of [MoO2(L1)(MeOH)] (1) and [MoO2(L2)(MeOH)] (3), respectively. In contrast, the analogous reactions in acetonitrile afforded the dinuclear complexes [Mo2O2(μ-O)2(L1)2] (2) and [Mo2O2(μ-O)2(L2)2] (4). The corresponding reactions with the potentially tetradentate ligand 3-((3,5-di-tert-butyl-2-hydroxybenzyl)(methyl)amino)propane-1,2-diol (H3L3) led to the formation of the mononuclear complex [MoO2(L3)(MeOH)] (5) in methanol whi…