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141.
本文在文[4]的基础上讨论了双重时序AR(1)-MA(q)模型的相关结构,在不假定白噪声序列为正态的情况下,证明了安鸿志[2]关于模型的相关结构的猜想是正确的,具体地构造了AR(1)-MA(3)模型的相关结构,并与ARMA模型进行了初步的比较,给出了一些抛砖引玉的讨论. 相似文献
142.
R. I. Jalmakhanbetova V. A. Raldugin I. Yu. Bagryanskaya Yu. V. Gatilov M. M. Shakirov G. A. Atazhanova S. M. Adekenov 《Chemistry of Natural Compounds》2007,43(5):552-554
Adducts of dihalocarbenes generated from chloroform and bromoform were prepared by reaction with estafiatin guaianolide. Their
structures were established by XSA.
__________
Translated from Khimiya Prirodnykh Soedinenii, No. 5, pp. 453–455, September–October, 2007. 相似文献
143.
Ab initio energetic calculations based on the density functional theory (DFT) and projector augmented wave (PAW) pseudo-potentials method were performanced to determine the crystal structural parameters and phase transition data of the polymorphic rare-earth sesquioxides Ln2O3 (where Ln=La-Lu, Y, and Sc) with A-type (hexagonal) and B-type (monoclinic) configurations at ground state. The calculated results agree well with the limited experimental data and the critically assessed results. A set of systematic and self-consistent crystal structural parameters, energies and pressures of the phase transition were established for the whole series of the A- and B-type rare-earth sesquioxides Ln2O3. With the increase of the atomic number, the ionic radii of rare-earth elements Ln and the volumes of the sesquioxides Ln2O3 reflect the so-called “lanthanide contraction”. With the increase of the Ln3+-cation radius, the bulk modulus of Ln2O3 decreases and the polymorphic structures show a degenerative tendency. 相似文献
144.
Xu Zhang Dongfeng Xue Meinan Liu Henryk Ratajczak Dongli Xu 《Journal of Molecular Structure》2005,754(1-3):25-30
On the basis of the crystallographic characteristics of lithium niobate (LN) crystals, Law of Bravais and Pauling's third rule (i.e. Polyhedral Sharing Rule) are employed with the aim to find the relationship between the crystal structure and morphological faces of LN powders. In order to validate our analytical results, we have successfully synthesized LN powders and measured the corresponding X-ray powder diffraction. Our results show that the structural analysis is consistent with the experimental data and is helpful and effective for us to control the single-crystal growth and to design superstructures at the specific plane, starting from the viewpoint of the microscopic behaviors of constituent chemical bonds and polyhedra in the crystallographic frame. 相似文献
145.
Three novel zinc complexes [Zn(dbsf)(H2O)2] ( 1 ), [Zn(dbsf)(2,2′‐bpy)(H2O)]·(i‐C3H7OH) ( 2 ) and [Zn(dbsf)(DMF)] ( 3 ) (H2dbsf = 4,4′‐dicarboxybiphenyl sulfone, 2,2′‐bpy = 2,2′‐bipyridine, i‐C3H7OH = iso‐propanol, DMF = N,N‐dimethylformamide) were first obtained and characterized by single crystal X‐ray crystallography. Although the results show that all the complexes 1–3 have one‐dimensional chains formed via coordination bonds, unique three‐dimensional supramolecular structures are formed due to different coordination modes and configuration of the dbsf2? ligand, hydrogen bonds and π–π interactions. Iso‐propanol molecules are in open channels of 2 while larger empty channels are formed in 3 . As compared with emission band of the free H2dbsf ligand, emission peaks of the complexes 1–3 are red‐shifted, and they show blue emission, which originates from enlarging conjugation upon coordination. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
146.
The three-dimensional structure of the calcite (104)-water interface has been determined with surface X-ray scattering. Nine crystal truncation rods (including specular and non-specular rods) were measured providing both vertical and lateral sensitivity to the interfacial structure. The results reveal that calcite is nearly ideally terminated with a single surface hydration layer that includes two inequivalent water molecules having distinct heights of 2.3 ± 0.1 and 3.5 ± 0.2 Å, each with a well-defined lateral registry with respect to the calcite surface. No additional layering of water is observed beyond this surface hydration layer. Small displacements in the outer two calcium carbonate layers were also observed. These results are compared with previous experimental and computational results. 相似文献
147.
Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces. 相似文献
148.
资源共享方式若干问题的研讨 总被引:3,自引:1,他引:2
社会公用服务系统和工程技术系统,存在共同的资源共享问题。本文通过典例就资源共享方式的若干问题加以探究:讨论广义的多用户系统中人工资源共享方式的分类;阐述常用的共享方式的特点、优缺点;分析系统时间性能及其改进与共享方式的关系等。文章还提出在系统工程范畴里,应对社会公用服务和工程技术两类系统的资源共享方式予以综合研究,并相互借鉴和移植。 相似文献
149.
标题化合物二乙胺合三(5-甲基-2-苯并噻唑基)硼烷(C28H29BN4S3(Mr=527.57)的晶体属于三斜晶系,空间群为P1,晶胞参数a=0.397(8)nm,b=1.1742(6)nm,c=1.3100(2)nm,α=104.29(2)°,β=92.99(3)°,γ=98.58(5)°,V=1.3790nm3,Z=2,Dc=1.270g/cm3,μ(MoKα)=2.804cm-1.结构的偏离因子R=0.0648,Rw=0.0737.结构测定表明,甲基取代基的电子效应导致硼碳键键长的平均化,预示杂环对硼原子的π-电子反馈与胺基氮原子对硼原子的反馈有彼消此长的关系. 相似文献
150.
The adsorption of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0) has been investigated using density functional theory (DFT). While experimental studies of CN on Cu(1 1 1) show the molecular axis to be essentially parallel to the surface, the normally-preferred DFT approach using the generalised gradient approximation (GGA) yields a lowest energy configuration with the C-N axis perpendicular to the surface, although calculations using the local density approximation (LDA) do indicate that the experimental geometry is energetically favoured. The same conclusions are found for CN on Ni(1 1 1); on both surfaces bonding through the N atom is always unfavourable, in contrast to some earlier published results of ab initio calculations for Ni(1 1 1)/CN and Ni(1 0 0)/CN. The different predictions of the GGA and LDA approaches may lie in subtly different relative energies of the CN 5σ and 1π orbitals, a situation somewhat similar to that for CO adsorbed on Pt(1 1 1) which has proved challenging for DFT calculations. On Ni(1 0 0) GGA calculations favour a lying-down species in a hollow site in a geometry rather similar to that found experimentally and in GGA calculations for CN on Ni(1 1 0). 相似文献