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81.
Dmitry Yu. Murzin 《Reaction Kinetics and Catalysis Letters》2007,90(2):225-232
Reaction route analysis is applied to visualize reaction networks in several heterogeneous catalytic reactions. Combination
of the theory of complex reactions with the notion of catalytic cycles results in a topological representation of complex
mechanisms with the nodes comprising all possible surface species including free sites and branches indicating interconnections
between reactions. 相似文献
82.
各向异性材料中共线刚性线夹杂的纵向剪切问题 总被引:8,自引:2,他引:6
本文研究各向异性材料中共线刚性线夹杂,(有时称作“硬裂纹”或“反裂纹”问题)的纵向剪切问题。利用复变函数方法,提出了一般问题的公式和某些实际重要问题的封闭形式解,考察了刚性线端点附近的应力分布.从本文解答的特殊情形,可以直接导出各向同性材料相应问题的公式和结果,包括某些已有的结果 ̄[7]. 相似文献
83.
Manju Rajeswaran Thomas N. Blanton David R. Whitcomb Nicholas Zumbulyadis Brian J. Antalek Scott T. Misture 《Journal of solid state chemistry》2006,179(4):1053-1059
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P21/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer. 相似文献
84.
In this paper, according to the molecular fragment principle, a series of eight ternary luminescent lanthanide complex systems were assembled, and whose compositions were determined with elemental analysis and infrared spectrum: Ln(MA)3(L)·H2O, where Ln = Sm, Eu, Tb, Dy; HMA = α‐methylacrylic acid; L = 1,10‐phenanthroline (phen), 2,2′‐bipyridine (bipy). The photophysical properties of these functional molecular systems were studied with ultraviolet‐visible absorption spectrum, and fluorescence excitation and emission spectrum. It was found that the heterocylic compounds (phen and bipy) act as the main energy donor and luminescence sensitizer for their suitable energy match and effective energy transfer to the emission energy level of Ln3+ ions. MMA ligand was only used as the terminal structural ligand to influence the luminescence. Especially terbium complex systems show the strongest luminescence for the optimum energy match and transfer between phen (bipy) and Tb3+ ion. 相似文献
85.
A. O. Manyashin A. I. Fomenko V. N. Storozhenko N. T. Berberova 《Russian Journal of Electrochemistry》2003,39(11):1240-1244
Stoichiometry and kinetics of reactions of 2,6-diphenyl-4-chloropyrylium, 4-chloroflavylium, 4-bromoflavylium, and 4-iodoflavylium perchlorates with nucleophiles N,N-dimethylaniline and n-phenylenediamine are studied using cyclic voltammetry and spectroscopy. Nucleophilic substitution in these compounds proceeds via the formation of a charge-transfer complex, which converts into a radical ion pair as a result of the electron transfer. Heterolytic clevage of the C–Hal bond occurs at the stage of pyranyl (flavanyl) radical. 相似文献
86.
LIU Hui-Min ZHANG Wei XIN Ying ZHANG Wen-Qin② 《结构化学》2004,23(5):532-536
1 INTRODUCTION We are presently involved in the synthesis and photodimerization of the analogues of trans-2-sty- rylbenzoxazole (BOEP), which have been widely reported as fluorescent whiteners and remedies[1]. Some structures of BOEP derivatives and thei… 相似文献
87.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex
[MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with
release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of
the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008. 相似文献
88.
89.
王海舟 《中国科学B辑(英文版)》2003,46(2)
The property of the material is closely related to its chemical compositions and microstruc-tures, which are the important parameters in the judgement of the quality of the material. The conventional chemical composition content of the material is an average value of the chemical composition of the whole material tested or the content of a fix position. Although it is still neces-sary to further improve these conventional methods, there are mature and systematic methods for analyzing the conve… 相似文献
90.
Based on the previously developed technique using the Laplace transformation of distributions with compact support, we calculate the Hochschild cohomologies of the algebra of smooth functions on a finite-dimensional real vector space with coefficients in the adjoint representation. 相似文献