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991.
This work deals with uncertainty analysis of the thermal conductivity measurement using the transient hot wire method. The characterization is made from a sample of low-density, polyethylene BRALEN SA 200-22. The utilized experimental data are obtained from the test measurements performed on the air at room temperature. The sources of measurement errors are analyzed and the uncertainty of the measured value of the thermal conductivity is evaluated. The analysis shows that in the present case the uncertainty of the thermal conductivity measurement is about ±3.3% for 68% confidence level.This revised version was published online in November 2005 with corrections to the Cover Date. 相似文献
992.
Based on the group theory analysis and quantum chemical calculations within the framework of SW X α method (in relativistic approximation for core electrons and non-relativistic for valence ones), the existence possibility of square planar complexes [M4C] and [M4C]2? (M = Al, Ga, In, Tl, Sc, and Y) in gas phase has been shown. The extraction of Kt2[M4C] square planar complexes of carbon in the crystal state is possible too. A high stability of these complexes, in comparison with usual tetrahedral, is achieved due to the formation of five-and four-center bonds (bonds M-M and M-C). 相似文献
993.
Lee HJ Kim JH Jung HJ Kim KY Kim EJ Choi YS Yoon CJ 《Journal of computational chemistry》2004,25(2):169-178
The effect of thioamide substitution on the conformational stability of an azaglycine-containing peptide, For-AzaGly-NH2 (1), was investigated for the sake of finding possible applications by using ab initio and DFT methods. As model compounds, For-[psiCSNH]-AzaGly-NH2 (2), For-AzaGly-[psiCSNH]-NH2 (3), and For-[psiCSNH]-AzaGly-[psiCSNH]-NH2 (4) were used. Two-dimensional phi-psi potential energy surfaces (PESs) for 2-4 were calculated at the B3LYP/6-31G*//HF/6-31G* level in gas (epsilon = 1.0) and in water (epsilon = 78.4) by applying the isodensity polarizable continuum model (IPCM) method. On the basis of these PESs, the minimum energy conformations for 2-4 were characterized at the B3LYP level with 6-31G*, 6-311G**, and 6-31+G** basis sets. The remarkable structural effect of thioamide substitution for 2-4 is that beta-strand structure is observed as a global or local minimum. The minima of 2-4 are also compared with those for glycine and thioamide-containing glycine peptides. Our theoretical results demonstrate that compounds 2-4 would be used to design controllable secondary structures. 相似文献
994.
Molecular Replacement Studies of Cucurmosin from Cucurbita Moschata:Structure Homology with Trichosanthin 总被引:2,自引:0,他引:2
1 INTRODUCTION Many plants contain proteins that are capable of inactivating ribosomes and therefore are called ribosome-inactivating proteins or RIPs[1]. RIPs are RNA N-glycosidases that inactivate ribosomes through a site-specific deadenylation of the large ribosomal RNA[2, 3]. RIPs are also capable of inactivating many nonribosomal nucleic acid substrates and can be considered as polynucleotide: adenosine glycosidases[4~6]. There are two types of RIPs: type I, single chain pr… 相似文献
995.
1 INTRODUCTION The bimetallic nanoclusters are of standing inte- rest since they can exhibit catalytic, electronic and optical properties distinct from those of corre- sponding pure nanoclusters[1~4]. Palladium and pla- tinum, well known for their catalytic properties, are often used as the catalyst in different fuel cells[5~8]. Several experimental results illustrate that for the oxygen reduction reaction (ORR), which is one of the primary reactions taking place in many fuel cells and… 相似文献
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997.
本文研究了在表面活性剂存在性,铝与溴代二甲氨基苯基荧光酮的显色反应。在弱酸性介质中,Al^3+BDMAF-CTMAB三元配合物在水浴加热至70℃-80℃时形成,其最大吸收波长为577nm,Al^3+:BDMAF=1:2,表观摩尔吸光系数为1.34×10^5L.mol^-1.cm^-1,表观稳定常数为7.4×10^5。在PH9.5-10.5的氨性缓冲介质中,Al^3+-F^--BDMAF-非离子表面 相似文献
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