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111.
112.
MnOx在ZrO2上分散状态及对CO氧化的影响 总被引:3,自引:0,他引:3
近年,氧化铝载体以其独特性能引起多方面的关注[1].当将Pt、Rh金属担载在ZrO2上时,在金属和氧化物之间存在着强的相互作用[2,3],从而提高了CO氧化和NO的还原性能.目前,许多作者曾对ZrO2。负载氧化铜催化剂进行了较系统的研究[4,5]:氧化锰对许多重要的催化反应有广 相似文献
113.
合成了双氯桥双核钯配合物[Ph_2P(o-C_6H_4CO)PdCl]_2·2CH_2Cl_2进行了元素分析、红外光谱表征和晶体结构测定,研究了其催化氢化性能。在30~80℃、氢分压1.0~5.0MPa的范围内。发现该配合物是催化氢化丙烯酸为丙酸的有效催化剂.晶体[Pd_2Cl_2(C_(19)H_(14)OP)_2]·2CH_2Cl_2属P1空间群,a=0.9304(3)nm,b=1.0392(2)nm,c=1.1062(3)nm;a=102.78(2),B=97.35(3),γ=95.25(2),V=1.0264nm~3,M=1032.17,2=1,Dc=1.670g/cm~3,u=13.695cm~(-1),F(000)=512,用1945个独立衍射精修结构,最终R=0.036。 相似文献
114.
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116.
James Belak 《Theoretical chemistry accounts》1993,84(4-5):315-323
Recent developments in microprocessor technology have led to performance on scalar applications exceeding traditional supercomputers. This suggests that coupling hundreds or even thousands of these killer-micros (all working on a single physical problem) may lead to performance on vector applications in excess of vector supercomputers. Also, future generation killer-micros are expected to have vector floating point units as well. The purpose of this paper is to present an overview of the parallel computing environment at Lawrence Livermore National Laboratory. However, the perspective is necessarily quite narrow and most of the examples are taken from the author's implementation of a large-scale molecular dynamics code on the BBN-TC2000 at LLNL. Parallelism is achieved through a geometric domain decomposition — each processor is assigned a distinct region of space and all atoms contained therein. As the atomic positions evolve, the processors must exchange ownership of specific atoms. This geometric domain decomposition proves to be quite general and we highlight its application to image processing and hydrodynamics simulations as well.Work performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract No. W-7405-ENG-48 相似文献
117.
The essential features (geometries of the minima and of the saddle points, energy barriers) of the potential energy surface of the four hydrides YXH4 mentioned in the title have been determined with two basis sets, of minimal and DZ quality respectively. The importance of the different extent of the deformation of the XH4 group in the different structures of the four hydrides is brought out and discussed. The aspects of charge distribution and bonding are examined drawing on population analysis, comparison of the electrostatic molecular potentials and decomposition of the interaction energy (this last referred to the Y+ + XH
4
–
YXH4 process). The capability of XH3 in effecting the etherolytic disruption of the Y-H bond is finally brought out. 相似文献
118.
Yoshiharu Izumi 《Angewandte Chemie (International ed. in English)》1971,10(12):871-881
It is proposed that asymmetric syntheses be divided into enantioselective and diastereoselective syntheses. The enantioselective hydrogenations discussed in the present progress report were catalyzed by Raney nickel that had previously been treated with solutions of optically active compounds. Relationships exist between the enantioselectivity of the catalyst and the structure of the chiral compound used to modify it. 相似文献
119.
溴酸钾氧化酸性品红催化光度法测定亚硝酸根 总被引:7,自引:2,他引:7
研究了在强酸介质中亚硝酸根催化溴钾氧化酸性品红的褪色反应及其动力学条件,建立了高灵敏测定痕量亚硝酸根的新催化光度法。方法灵敏度为3.7×10^-11g/cm^2亚硝酸态氮,线性范围为0.06-0.42μg/10mL,用于测定唾液及硝钾中亚硝酸根。 相似文献
120.
A gas-chromatographic analyzer allowing the selective detection of individual oxygenates in complex organic mixtures, such as gasolines, is described. The analyzer is based on the oxygen-specific response flame ionization detection (O-FID) method. The system operates with capillary columns and includes a cracking reactor to convert any oxygenate to carbon monoxide and a special FID equipped with a microreactor for the catalytic hydro-genation of CO and detection as methane. Hydrocarbons give no signal. The selectivity of the method is better than 1:107 and the linear range approaches 105. The analysis of modern fuels containing oxygenated additives, to improve octane ratings, may greatly benefit from the proposed analytical method. 相似文献