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31.
Portalis Guillaume Carrapa Estelle Simon Bernard Vivier Vincent 《Journal of Solid State Electrochemistry》2021,25(6):1915-1926
Journal of Solid State Electrochemistry - Various works have been carried out on lithium-ion batteries for improving the different conductivities of electrode materials. For this purpose,... 相似文献
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33.
Cristina?Iuga J.?Raul?Alvarez-IdaboyEmail author Annik?Vivier-Bunge 《Theoretical chemistry accounts》2011,129(2):209-217
In this work, we have revisited the mechanism of the acetone + OH radical reaction assisted by a single water molecule simulating
atmospheric conditions. Density functional methods are employed in conjunction with CCSD(T) and large basis sets to explore
the potential energy surface of this radical-molecule reaction. Computational kinetics calculations in a pseudo-second order
mechanism have been performed, taking into account average atmospheric water concentrations and temperatures. We have used
this method recently to study the single-water molecule-assisted H-abstraction in acetaldehyde (Iuga et al. in J Phys Chem
Lett 1:3112, 2010) and in glyoxal (Iuga et al. in Chem Phys Lett 501:11, 2010) by OH radicals, and we showed that the initial water complexation step is essential in the rate constant calculation. In
both cases, the amount of complex formed is only about 0.01% of the total organic molecule concentration, and as a consequence,
water does not accelerate the reaction. In the acetone reaction with OH radicals under atmospheric conditions, we also find
that the water–acetone complex concentration is much too small to be relevant, and thus, the rate constant of the water-assisted
mechanism is orders of magnitude smaller than the water-free corresponding value. 相似文献
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36.
A. Vivier 《Fresenius' Journal of Analytical Chemistry》1889,28(1):350-351
Ohne Zusammenfassung 相似文献
37.
The carbon cavity microelectrode (CME), exhibiting a volume of 4×10?6 cm3, offers a genuine alternative for immobilizing and connecting enzymes in aqueous electrolytes by powder of insoluble redox materials. In the present work, the electrochemical behavior of two redox species such as ferrocene (Fc) and tetrathiafulvalene (TTF) was investigated with CME to evaluate their potentialities in the electrical wiring of enzymes. For this purpose, powder of two enzymes, glucose oxidase (GOx) and horseradish peroxidase (HRP), was independently mixed with an insoluble redox material and forced to fill the single micro cavity of a carbon electrode covered by an inert insulator. The presence of the electroactive species, as well as the enzyme wiring was investigated by cyclic voltammetry. The amperometric detection of glucose was carried out by potentiostating the TTF/GOx and the Fc/GOx microelectrodes at 0.25 and 0.35 V respectively. The amperometric detection of H2O2 by the TTF/HRP microelectrode was performed at ?0.1 V vs. SCE. 相似文献
38.
Dao Trinh Dr. Michel Keddam Prof. Xosé Ramón Novoa Dr. Vincent Vivier 《Chemphyschem》2011,12(11):2177-2183
A scanning electrochemical microscope (SECM) in ac mode is used for the characterisation of the adsorption process during the hydrogen evolution reaction (HER) in sulfuric acid solution. It is shown that this technique allows quantitative analysis of the adsorption process, and measurements of the differential capacitance with the frequency as parameter are obtained. The time constant for relaxation of adsorbed hydrogen (Hads) is approximately 2 Hz, and analysis of the Nyquist plot allows direct evaluation of the charge involved. In addition, the direct comparison of the usual electrochemical impedance data and ac‐SECM results obtained simultaneously permits characterisation of processes occurring at the surface and in solution. 相似文献
39.
Iuga C Ortíz E Alvarez-Idaboy JR Vivier-Bunge A 《The journal of physical chemistry. A》2012,116(14):3643-3651
In this work, we report a quantum chemistry mechanistic study of the hydroxyl (?OH) and hydroperoxyl (?OOH) radicals initiated oxidation of indigo, within the density functional theory framework. All possible hydrogen abstraction and radical addition reaction pathways have been considered. We find that the reaction between a free indigo molecule and an ?OH radical occurs mainly through two competing mechanisms: H-abstraction from an NH site and ?OH addition to the central C═C double bond. Although the latter is favored, both channels occur, the indigo chromophore group structure is modified, and thus the color is changed. This mechanism adequately accounts for the loss of chromophore in urban air, including indoor air such as in museums and in urban areas. Regarding the reactivity of indigo toward ?OOH radicals, only ?OOH-addition to the central double bond is thermodynamically feasible. The corresponding transition state free energy value is about 10 kcal/mol larger than the one for the ?OH initiated oxidation. Therefore, even considering that the ?OOH concentration is considerably larger than the one of ?OH, this reaction is not expected to contribute significantly to indigo oxidation under atmospheric conditions. 相似文献
40.
Stéphane Sengmany Claire Ceballos Romain Belhadj Christine Cachet‐Vivier Erwan Le Gall Blandine Brissault Jacques Penelle Eric Léonel 《Journal of polymer science. Part A, Polymer chemistry》2012,50(5):900-911
Thiophene monomers displaying a dimethylenecarboxylate (CH2CH2COOR) substituent on the 3‐position of the aromatic ring can be easily obtained and in one step from the electrochemically induced reaction of 3‐bromothiophene with the corresponding acrylate (CH2?CHCOOR). The synthesis of the ethyl ester monomer, of related 2,5‐dihalogenothiophenes, and their polymerization are reported. Despite the surprisingly low solubilities displayed by the polymers, a full spectroscopic characterization could be performed and the data fully analyzed. Oxidative polymerizations (FeCl3 or electropolymerization) yield a regioirregular polythiophene, with 60–70% of head‐to‐tail diads. Both experimental and theoretical results suggest that the nonconjugated ester plays a very minor role—if any—in the polymerizations under oxidative conditions, but has a significant influence on the polymer properties. Preliminary attempts to polymerize the dihalogenothiophenes under reductive conditions were hampered by the even lower solubilities exhibited by the regioregular oligomers. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献