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81.
采用总体能量平面波赝势方法, 并结合超软赝势技术, 计算了金属La、 Ni及合金LaNi5的总体能量、能带结构、电子态密度以及Mulliken布居值. 根据计算结果, 分析了La、 Ni和LaNi5的电子结构. 结果表明: 形成合金后费米面能量位置漂移, 介于Ni和La的费米面之间, 费米面上主要是Ni 3d电子; 费米面附近导带的电子结构变化较大; 合金中La和Ni间存在电子转移, 形成了弱的La-Ni键, 且带部分离子性; 与纯金属相比, 形成合金后La的稳定性增强, 而Ni的稳定性减弱. 计算了LaNi5的理论生成热, 结果能较好地符合实验值. 相似文献
82.
采用新设计的 5 % Cr材料制造了宝钢冷热轧支承辊。在制造过程中 ,冶炼采用“AP”工艺 ,较好地解决了偏析问题 ;通过先进的锻造手段及差温喷淬的方法保证了支承辊的各项技术要求 相似文献
83.
84.
A comprehensive quantification of the various phases of clinkers by X-ray diffraction with a Rietveld-like analysis is an important industrial challenge. Various available structural models are used for the most frequent M1 and M3 polymorphs of alite usually found in industrial clinkers, referred to as M1- or M3-based clinkers. In this paper, the effect of C3S structural model is investigated. Four models are tested and compared using either synthetic M1 and M3 alites or M1- and M3-based clinkers. The comparison validates the available models for M1 and M3 alites and an average model, given here, derived from our recently proposed M1 structure as a catch-all model when the nature of the clinker is unknown. The latter model is meant to be used for industrial on-line quantification. 相似文献
85.
本文以异丁醛为原料在杂多酸催化剂的作用下,环化合成了无毒升华剂2,4,6-三异丙基-1,3,5-三恶烷,考查了各种反应条件的影响,确定以磷钨酸为催化剂时的最佳反应条件:反应温度25℃,催化剂用量1.5%,反应时间2.5h,产物的收率达84%以上。 相似文献
86.
2-氨基-4-溴-5-氯苯甲酸的合成 总被引:2,自引:1,他引:2
以硝基苯为原料,经溴化、还原、缩合、环合、氯化和氧化等6步反应合成了2-氨基-4-溴-5-氯苯甲酸,总收率为11.7%。 相似文献
87.
J. R. Clearwater S. P. Foster S. J. Muggleston J. S. Dugdale E. Priesner 《Journal of chemical ecology》1991,17(2):413-429
The specific status ofCtenopseustis obliquana pheromone-types I, II, and III has been more fully examined. Females of types I and III produce a mixture of (Z)-8- and (Z)-5-tetradecenyl acetates (Z8-14:Ac, Z5-14: Ac). The previously reported different ratios of these two components in females of the two types (type I=80587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">20, III=90587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">10) have been reinvestigated. The median ratios of each type differed significantly, although there was some overlap in the ranges of these ratios. A field cage trial showed that males of type III are attracted to females of type I, so the observed differences may be ascribed to intraspecific variation. In contrast to females of types I or III, females of type II produce Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac but no Z8-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac. The electroantennogram (EAG) profile of antennae of type II males shows a maximum response to Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac, while the EAG profiles of types I and III show a strong response to Z8-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac. In wind tunnel tests using mixtures of these two compounds, type II males prefer blends consisting of all or mostly Z5-14: Ac, while type I males showed a preference to a mix of 70% Z8-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac plus 30% Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac. We found that type I males are attracted to type I females when offered a choice between type I and type II females in a field cage test and that type II males similarly prefer type II females. Males of types I and II have specialist cells for Z8-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac and Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac but differ with respect to relative densities of these cells and to further cell types responsive to other alkenyl acetates. Type IIC. obliquana is considered therefore a sibling species of types I and III. In addition, the amount of Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac produced by type II females varied geographically. Females from the North Island produced significantly less (median=1.2 ng) Z5-14587080mr/xxlarge8758.gif" alt="ratio" align="BASELINE" BORDER="0">Ac than females from the South Island (median=2.2 ng). Type II populations in the North Island morphologically resembled sympatric type I, rather than type II from the South Island and are designated as type II (North Island). Type II (North Island) populations have so far been found only at Rukuhia (near Hamilton) and from Kerikeri. In contrast, type II populations are sympatric with type III populations over much of the South Island. In a field cage trial, males of types II and II (North Island) were attracted to females of both II and II (North Island). We tentatively ascribe the differences between type II and type II (North Island) to intraspecific variation. 相似文献
88.
根据实测γ~∞_1用单参数Wilson方程预测均三甲苯-DMP和偏三甲苯-DMP二元体系汽液平衡,并推算均三甲苯-偏三甲苯-DMP三元体系的汽液平衡,与实测数据比较,均获得良好结果。 相似文献
89.
90.
The influence of Glu44 and Glu56 of cytochrome b5 on the protein structure and interaction with cytochrome c 总被引:1,自引:0,他引:1
Sun Yu-Long; Xie Yi; Wang Yun-Hua; Xiao Gu-Tian; Huang Zhong-Xian 《Protein engineering, design & selection : PEDS》1996,9(7):555-558
The gene encoding trypsin-solubilized bovine liver microsomalcytochrome b5 (82 residues in length) has been mutated, in whichthe codons of Glu44 and Glu56 were changed to those of Ala.The mutated genes were expressed in Escherichia coli successfullyand three mutant proteins (E44A, E56A and E44/56A) were obtained.The UV-visible, CD and 1H NMR spectra of proteins have beenstudied. The results show that the mutagenesis at surface residuesdoes not alter the secondary and tertiary structures of cytochromeb5 significantly. The interactions between recombinant cytochromeb5 and its mutants with cytochrome c were studied by using opticaldifference spectra. The results demonstrated that both Glu44and Glu56 of cytochrome b5 participate in the formation of acomplex between cytochrome b5 and cytochrome c. 相似文献