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101.
Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three-and four-electron compounds: H2
–, He2
+, He2, Li2
+2. High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 53–56, August, 1987. 相似文献
102.
Molecular electroactive monolayers have been produced from vinylferrocene (VFC) via light-assisted surface anchoring to H-terminated n- and p-Si(1 0 0) wafers prepared via wet chemistry, in a controlled atmosphere. The resulting Si-C bound hybrids have been characterized by means of XPS and AFM. Their performance as semiconductor functionalized electrodes and their surface composition have been followed by combining electrochemical and XPS measurements on the same samples, before and after use in an electrochemical cell. White-light photoactivated anchoring at short (1 h) exposure times has resulted in a mild route, with a very limited impact on the initial quality of the silicon substrate. In fact, the functionalized Si surface results negligibly oxidized, and the C/Fe atomic ratio is close to the value expected for the pure molecular species. The VFC/Si hybrids can be described as (η5-C5H5)Fe2+(η5-C5H4)-CH2-CH2-Si species, on the basis of XPS results. Electrochemical methods have been applied in order to investigate the role played by a robust, covalent Si-C anchoring mode towards substrate-molecule electronic communication, a crucial issue for a perspective development of molecular electronics devices. The response found from cyclic voltammograms for p-Si(1 0 0) functionalized electrodes, run in the dark and under illumination, has shown that the electron transfer is not limited by the number of charge carriers, confirming the occurrence of electron transfer via the Si valence band. The hybrids have shown a noticeable electrochemical stability and reversibility under cyclic voltammetry (cv), and the trend in peak current intensity vs. the scan rate was linear. The molecule-Si bond is preserved even after thousands of voltammetric cycles, although the surface coverage, evaluated from cv and XPS, decreases in the same sequence. An increasingly larger surface concentration of Fe3+ at the expenses of Fe2+ redox centers has been found at increasing number of cv’s, experimentally associated with the growth of silicon oxide. Surface SiO− groups from deprotonated silanol termination, induced by the electrochemical treatments, are proposed as the associated counterions for the Fe3+ species. They could be responsible for the observed decrease in the electron transfer rate constant with electrode ageing. 相似文献
103.
K. C. Kumara Swamy E. Balaraman M. Phani Pavan N. N. Bhuvan Kumar K. Praveen Kumar N. Satish Kumar 《Journal of Chemical Sciences》2006,118(6):495-501
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献
104.
We describe in detail fundamental properties of continuity modules of various orders in the spaces L
p of functions defined on a finite segment. We establish some general estimates of seminorms in terms of continuity modules with the best known constants. An example of application of these results to the best approximations is considered. Bibliography: 32 titles. 相似文献
105.
N. A. Lockerbie 《General Relativity and Gravitation》2004,36(3):593-600
By using a novel free-flying, rotating, optical bench aboard the International Space Station (ISS) as the basis for a measurement of differential acceleration between two gravitating bodies, in principle the Newtonian inverse-square law and the constant of gravitation, G, can be determined at the parts in 106 level. 相似文献
106.
Porous road surfaces offer an effective means of reducing the generation and propagation of noise from road traffic. However, the porosity of these surfaces can deteriorate over time, leading to a reduction in their noise reducing properties. Efficient methods are therefore required for monitoring this performance. Existing techniques for performing in-situ measurements of acoustic absorption are unsuitable for use within the traffic stream. Static measurements using time domain Maximum Length Sequence (MLS) based techniques have been demonstrated to offer advantages over traditional techniques, presenting the opportunity for measurements under dynamic conditions. This paper describes the design of a system for carrying out dynamic MLS-based measurements. Results are presented which demonstrate that stable dynamic measurements can be carried out at speeds of up to 30 km/h. 相似文献
107.
H. Moers H. Klewe-Nebenius G. Pfennig und H. J. Ache 《Fresenius' Journal of Analytical Chemistry》1987,329(2-3):361-366
Summary The adsorption of gaseous molecular iodine on clean silver surfaces proceeds in the first stage by dissociative chemisorption. After the formation of half a monolayer of chemisorbed iodine atoms the formation of silver iodide begins, which forms a very regular overlayer on top of the substrate. Both iodine species can be distinguished due to a difference in chemical shift of the M4N4, 5N4, 5-Auger transitions. After completion of this overlayer further iodine uptake is slowed down significantly. Above an overlayer thickness of about 10 nm a further progress of the reaction cannot be followed anymore due to the limited information depth of XPS. 相似文献
108.
109.