Search results for "COMPOSITI"
showing 10 items of 2775 documents
Amiable composition. Principes directeurs du procès, Article 9 du NCPC, Application, Pouvoir d'équité, Renversement de la charge de la preuve, Princi…
1992
International audience; (Civ. 2e, 28 févr. 1990, Bull. civ. II, n° 43, p. 24, Société Chantiers modernes)
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-…
2021
We report on a formulation and implementation of a scheme to compute NMR shieldings at second-order Moller-Plesset (MP2) perturbation theory using gauge-including atomic orbitals (GIAOs) to ensure gauge-origin independence and Cholesky decomposition (CD) to handle unperturbed as well as perturbed two-electron integrals. We investigate the accuracy of the CD for the derivatives of the two-electron integrals with respect to an external magnetic field as well as for the computed NMR shieldings, before we illustrate the applicability of our CD based GIAO-MP2 scheme in calculations involving up to about one hundred atoms and more than one thousand basis functions.
On the chemical composition and nutritional value of Pleurotus taxa growing on Umbelliferous plants (Apiaceae)
2005
Unpublished data on the chemical composition and nutritional value of Pleurotus mushrooms, growing on Umbelliferous plants (Apiaceae), are here reported. Cultivated basidiomata of four different Pleurotus taxa were analyzed in order to evaluate the composition in lipids, sugars, nitrogen, water, vitamins, ashes, and energetic values. The results showed that Pleurotus mushrooms are suitable in every type of diet thanks to their low caloric content, gastronomic value, vitamins, and mineral salt contents. The presence of a high content of vitamin B(12) and riboflavin in Pleurotus nebrodensis is noteworthy.
ChemInform Abstract: Au+ n-Induced Decomposition of N2O.
2010
Toward Three-Dimensional Chemical Imaging of Ternary Cu–Sn–Pb Alloys Using Femtosecond Laser Ablation/Ionization Mass Spectrometry
2017
Femtosecond laser ablation/ionization mass spectrometry (LIMS) has been applied to probe the spatial element composition of three ternary Cu-Sn-Pb model bronze alloys (lead bronzes: CuSn10Pb10, CuSn7Pb15, and CuSn5Pb20), which were recently identified as high-performance cathode materials in the context of electro-organic synthesis (dehalogenation, deoxygenation) of pharmaceutically relevant building blocks. The quantitative and spatially resolved element analysis of such cathode materials will help in understanding the observed profound differences in their electrochemical reactivity and stability. For that purpose, we developed a measurement procedure using the LIMS technique which allows…
Electrochemical characterization of solid state reaction kinetics using voltammetry of microparticles. Application to thermal decomposition of iron c…
2011
The voltammetry of microparticles is applied to characterize the electrocatalytic ability of solids towards selected electrochemical processes. The variation of catalytic currents under fixed electrochemical conditions permits to obtain composition/time data to be fitted with solid state kinetic models. This methodology is applied to analyze the thermal decomposition of magnesiochromite ferroan and chlorite chromian standards and a South Africa iron chromite ore on the basis of the significant catalytic effect on the electrochemical oxygen evolution reaction (OER) in aqueous alkaline media at mineral-modified graphite electrodes. Measurement of the time variation of catalytic current for OE…
Excitonic Molecules in AgBr1–xClx Crystals
1994
Exploiting seeding of random number generators for efficient domain decomposition parallelization of dissipative particle dynamics
2013
Abstract Dissipative particle dynamics (DPD) is a new promising method commonly used in coarse-grained simulations of soft matter and biomolecular systems at constant temperature. The DPD thermostat involves the evaluation of stochastic or random forces between pairs of neighboring particles in every time step. In a parallel computing environment, the transfer of these forces from node to node can be very time consuming. In this paper we describe the implementation of a seeded random number generator with three input seeds at each step which enables the complete generation of the pairwise stochastic forces in parallel DPD simulations with minimal communication between nodes.
Chemical Vapour Deposition of Pure Titanium Using a Heated Wire Reactor and TiI4
2017
Master's thesis Renewable Energy ENE500 - University of Agder 2017 An experimental reactor system has been optimized throughout a series of experiments for making titanium tubes from an electrically heated titanium coil filament by a chemical vapour deposition method, based on the original van Arkel-de Boer -process. The titanium is thermally decomposed on the filament from vapourized titanium tetraiodide in a method not seen in similar experiments. The small-scale reactor is built for this purpose, and the associated systems and methods are developed to maintain the optimal conditions for a continuous metal deposition. A filament current control system is made of an Arduino micro-controlle…