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51.
文中采用机械合金化(MA)和氢化燃烧法(HCS)制备了Mg1.9Al0.1Ni,通过对它们储氢性能的对比研究发现,MA优于HCS.采用MA制得的Mg1.9Al0.1Ni储氢合金具有较高的活性和高储氢量,对PCT结果进行计算,得出温度和氢平衡压的关系式.Mg1.9Al0.1Ni(MA)553K时100s内吸放氢量分别为2.67和2.54 mass%H.用XRD方法进行物相分析,表明添加适量Al没有改变Mg2Ni的物相结构,由于MA能够制备出纳米晶粒,使得Mg1.9Al0.1Ni合金具有更好的储放氢动力学性能. 相似文献
52.
Three new alkaloids, longistylumphyllines A–C (1–3), together with the six known alkaloids deoxycalyciphylline B, deoxyisocalyciphylline B, methyl homosecodaphniphyllate, daphnicyclidin A, daphnicyclidin B, and daphnicyclidin F, were isolated from the stems and leaves of Daphniphyllum longistylum. Their structures and relative configuration were elucidated on the basis of spectroscopic data, especially 1D and 2D NMR techniques. 相似文献
53.
Chang–Guo Zhan 《International journal of quantum chemistry》1992,44(2):123-140
This paper provides a brief and systematic presentation of the basic principle and method of the maximum overlap symmetry molecular orbital (MOSMO ) model and its application to simplification of molecular orbital calculation and to calculation of molecular structures and properties, together with some new results about the MOSMO calculation and new insights concerning the further extension of the principle and method. It has been shown that the theoretical method of the MOSMO model is very simple, reliable, and useful and can be employed to study the structure–property relation in even very large molecular systems. The numerical results obtained from the MOSMO calculation on various semiempirical molecular orbital approximation levels show that when the same parametrization, such as one of those employed in EHMO , CNDO /2, and HMO methods, is adopted, the MOSMOS are very close to the canonical molecular orbitals obtained from the customary LCAO method and the MOSMO calculation requires less computing time than does the LCAO method. The MOSMO calculation can be used for rapidly obtaining reasonably good molecular geometries, vibrational frequencies, and other properties of molecules by employing a simple improved semiempirical parametrization. Equilibrium geometries, vibrational frequencies, and other results are in good agreement with the experimental data and the results obtained from ab initio molecular orbital calculation. The basic calculational procedure of the MOSMO model can be extended further and has been employed to give some new results, to propose some new theoretical schemes and principles, and to introduce some new interesting theoretical problems that deserve to be studied further. 相似文献
54.
晚期肝癌及肝转移癌多并发腹水,治疗较困难。作者在抗癌、纠正水电解质失衡、低蛋白血症的基础上,试用心得安、速尿治疗,观察32例病人的腹水情况,取得较好的效果。方法:32例病人常规检查,排除心脏疾患后,给予口服心得安10mg,3次/d;速尿20mg,3次/d。每天测量腹围、记录尿量,定期检查血电解质,适量补充钾,纠正低蛋白血症。连用一周,有效后继续使用至一个月,无效者停用。结果:32例病人中腹水消退6例,明显减轻15全,有效5例,无效6例,总有效率81.3%。结论:心得安、速尿联合治疗晚期肝癌及肝转移癌并发腹水,可降低门静脉高压,减轻腹水,且无特殊副作用,值得继续研究。 相似文献
55.
Min Zeng Ang Ren Wubin Wu Yongsheng Zhao Chuanlang Zhan Jiannian Yao 《Chemical science》2020,11(34):9154
We present herein an innovative host–guest method to achieve induced molecular chirality from an achiral stilbazolium dye (DSM). The host–guest system is exquisitely designed by encapsulating the dye molecule in the molecule-sized chiral channel of homochiral lanthanide metal–organic frameworks (P-(+)/M-(−)-TbBTC), in which the P- or M-configuration of the dye is unidirectionally generated via a spatial confinement effect of the MOF and solidified by the dangling water molecules in the channel. Induced chirality of DSM is characterized by solid-state circularly polarized luminescence (CPL) and micro-area polarized emission of DSM@TbTBC, both excited with 514 nm light. A luminescence dissymmetry factor of 10−3 is obtained and the photoluminescence quantum yield (PLQY) of the encapsulated DSM in DSM@TbTBC is ∼10%, which is close to the PLQY value of DSM in dilute dichloromethane. Color-tuning from green to red is achieved, owing to efficient energy transfer (up to 56%) from Ln3+ to the dye. Therefore, this study for the first time exhibits an elegant host–guest system that shows induced strong CPL emission and enables efficient energy transfer from the host chiral Ln-MOF to the achiral guest DSM with the emission color tuned from green to red.Homochiral Ln-MOFs are synthesized to encapsulate achiral dyes to induce strong circularly polarized luminescence with a luminescence dissymmetry factor of 10−3. 相似文献
56.
Czechoslovak Mathematical Journal - Let L(n, d) denote the minimum possible number of leaves in a tree of order n and diameter d. Lesniak (1975) gave the lower bound B(n,d) = ⌈2(n −... 相似文献
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58.
Alexopoulos T Allen C Anderson EW Balamurali V Banerjee S Beery PD Bhat P Bishop JM Biswas NN Bujak A Carmony DD Carter T Choi Y Cole P DeBonte R DeCarlo V Erwin AR Findeisen C Goshaw AT Gutay LJ Hirsch AS Hojvat C Jennings JR Kenney VP Lindsey CS Loomis C LoSecco JM McMahon T McManus AP Morgan N Nelson K Oh SH Porile NT Reeves D Rimai A Robertson WJ Scharenberg RP Stampke SR Stringfellow BC Thompson M Turkot F Walker WD Wang CH Warchol J Wesson DK Zhan Y 《Physical review D: Particles and fields》1993,48(3):984-997
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A new quantum chemical definition of oxidation number is proposed, in the present paper, as a direct generalization of the corresponding classical definition. According to the proposed general definition, the oxidation number can be calculated by use of molecular orbital data and a population analysis method or by use of other quantum chemical methods. For the practical calculation, we present a corresponding concrete calculation procedure within the framework of the maximum overlap population principle, which is very simple and very easy to use. The calculated numerical results are, on the whole, in good agreement with chemists' intuitive concepts of chemical bonding. 相似文献