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1.
M2As-和M2Br+(M=Cu,Ag,Au)的赝势从头算研究   总被引:1,自引:1,他引:0  
使用赝势在HF和MP2水平上计算了M2As-和M2Br+(M=Cu,Ag,Au)的平均几何和振动频率。计算的结果表明,这些化合物呈弯曲结构(C2v)。在MP2水平上研究了电子相关对这些化合物的几何结构的修正,键角减少10°到20°。在MP2,MP3,MP4,CCSD,和CCSD(T)水平上还较详细地研究了电子相关对Au2As-的几何结构的修正。通过对这些化合物稳定性的研究,预言了Au2As-的成键可能性。  相似文献   

2.
合成了系列M2SiO4∶Re(M=Mg,Ca,Ba; Re= Ce3 ,Tb3 )样品,研究了样品在真空紫外区域的激发光谱和发射光谱.从激发谱可以看出:M2SiO4∶Re(M=Mg,Ca,Ba; Re= Ce3 ,Tb3 )在147,172 nm有很强的吸收带.用Mg,Ca完全取代Ba2SiO4∶Tb3 中的Ba ,相对应的晶体的晶格参数逐渐增大,晶场的能量逐渐减少,其激发光谱随着碱土离子半径的增加向长波方向移动.在172 nm真空紫外光激发下,观察到M2SiO4∶Re(M=Mg,Ca,Ba; Re=Tb3 和M2SiO4∶Re(M=Mg,Ca,Ba; Re= Ce3 ,Tb3 )特征发射;在真空紫外激发下,随着M2SiO4∶Re(M=Mg,Ca,Ba; Re= Ce3 ,Tb3 )中Ce3 含量的增加,M2SiO4∶Re的特征发射明显减弱,并分析讨论了相关发光现象的成因.  相似文献   

3.
李凤林 《计算物理》1988,5(1):27-35
要根据[1]中给出的MCS序列xnαxn-1(modM)具有周期m的充要条件,确定其相应全部参数α,可归结为模Mm阶单位根的计数与确定问题,而此问题对一般复合模M至今未见解决。本文解决了这个问题,从而也解决了MCS序列具有周期m的全部参数α的计数和确定问题。  相似文献   

4.
In Y(Fe, M)2 compounds, the presence of Fe moments even at high M concentrations and the appearance of a percolation limit for the onset of long range magnetic order is typical. A dominance of the volume contribution to the isomer shift is obtained, indicating that for the Fe atoms charge transfers are of minor importance.  相似文献   

5.
Summary The FLAG® peptides DYKDDDDK and MDYKDDDDK are widely used affinity tags. Here we describe new variants of the FLAG peptides which, in direct ELISA, showed selective and differential binding to the commercially available anti-FLAG monoclonal antibodies M1, M2 and M5. Variants of the FLAG peptides were synthesized on polymer-grafted plastic pins, and in an ELISA incubated with mAbs M1, M2 and M5. Among the newly identified tag sequences are those that bind only one of the anti-FLAG mAbs and those that bind only two or all three of the anti-FLAG mAbs. Examples of new tag sequences are MDFKDDDDK (which binds mAb M5 and does not bind mAbs M1 and M2) and MDYKAFDNL (which binds mAb M2 and does not bind mAbs M1 and M5). The sensitivity in direct ELISA of some variants was increased, e.g. using mAb M2 it was found that replacing DDDDK in MDYKDDDDK by AFDNL increased the sensitivity in ELISA at least 10-fold. The activity of this peptide was studied in more detail. In different direct ELISAs, in which MDYKAFDNL was synthesized on polyethylene pins, coated onto polystyrene microtiter plates or onto nitrocellulose paper, the activity of this peptide was similar, i.e. increased at least 10-fold over that of MDYKDDDDK. Remarkably, in competitive ELISA the binding activity of soluble MDYKAFDNL was decreased 10-fold over those of soluble MDYKDDDDK or DYKDDDDK. The results seem to suggest that, in solution, the conformation of MDYKAFDNL is more unstructured compared to its conformation when coated or linked to a carrier. We postulate that the newly described tag sequences may be used as affinity tags to separately detect, quantify and purify multiple co-expressed proteins and/or subunits.Abbreviations ABTS 2,2-azino-di-3-ethylbenzthiazoline sulfonate - ELISA enzyme-linked immunoabsorbent assay - GDA glutardialdehyde - HPLC high-performance liquid chromatography - mAb monoclonal antibody - rampo rabbit-anti-mouse peroxidase - SDS sodium dodecylsulfate  相似文献   

6.
Summary In this paper we describe the scientific goals and the experimental set-up of the projectPulsar search in M33. Its aim is the discovery of radio pulsars in the Scd spiral Galaxy M33 (NGC 598). A complete survey of the H a area of M33, with an exagonal grid somewhat less than one-half power of the Arecibo telescope at 1400 MHz, has been performed and about 100 observations over the 40% of the grid areas are now available. An improved version of the analysis procedure has been realized and is shortly described in the following. Some considerations about the detectability of pulsars eventually present in M33 are reported. Paper presented at the 6th Cosmic Physics National Conference, Palermo, 3–7 November 1992.  相似文献   

7.
合成了ErFe29-x-yCoxMy化合物(M=Cr, V, Ti, Mn, Ga, Nb )并用x射线衍射和磁测量等手段研究了它们的结构和磁性. 发现Fe基Er(Fe,M)29化合物结晶成哑铃对Fe-Fe无序替代的Th2Ni17型结构(P63/mmc空间群)而不能形成Nd3(Fe,Ti)29型结构,因此其化学式也可以用Er2-n(Fe,M)17+2n (n=0.2)表示. 当ErFe29化合物中部分Fe原子被M原子所取代时,其居里温度均有一定程度的提高. 所有Er(Fe,M)29化合物在室温均为易面型各向异性. 当Er(Fe,M)29 (M=Cr, V)中的部分Fe原子被Co原子取代且Co原子数与Fe原子数达到一定比值时,得到一个单斜结构的新相. 磁测量表明ErFe19.5Co6V3.5在室温可能为单轴各向异性,在162K出现自旋重取向,其各向异性由易轴型变为易面型. 在5K下于难磁化方向磁化时观察到一个一级磁化过程(FOMP). 关键词: 稀土金属间化合物 晶体结构 磁晶各向异性  相似文献   

8.
The M1 and M2 transition strength distribution for 16O in the excitation energy range from 16 to 20 MeV has been measured in a high-resolution electron scattering experiment. The M1 strength is concentrated in three sharp states at Ex = 16.22, 17.14 and 18.79 MeV (± 0.01 MeV) with B(M1, k)↑ = 0.20 ± 0.02, 0.32 ± 0.03 and 0.13 ± 0.03 μN2, respectively. An additional strength of 0.35 ± 0.09 μN2, distributed over eight weakly excited states with excitation energies Ex = 17.4 to 18.0 MeV, brings the total measured M1 strength to B(M1, k)↑ = 1.0 ± 0.1 μN2. The experimental M2 strength is distributed over states at Ex = 16.82, 17.78, 18.50 and 19.0 MeV (± 0.01 MeV) with B(M2, k)↑ = 19 ± 2, 13 ± 2, 59 ± 7 and 341 ± 51 μN2 · fm2, respectively. Electric transitions were also measured to states at Ex = 16.45 MeV (2+, E2), 17.30 MeV (1+, E1) and 18.20 MeV (2+, E2). Calculations were performed using the modified surface delta interaction in a 2p-2h shell model for the M1 transitions and the random phase approximation for the M2 transitions. The results show the sensitivity of the M1 strength as a measure of ground-state correlations and compare well with results from the 15N(p, γ) reaction.  相似文献   

9.
The Latest developed LECR2M (Lanzhou ECR No.2 Modified)source is the updated one of LECR2(Lanzhou ECR No.2)source at IMP.It has been assembled on the low energy ion beam experimental platform to produce MCI beams for atomic physics and material pllysics experimental research.In our updating program,the structure of injection and extraction components has been modified to make the source structure more simple and effective.The hexapole magnet has also been replaced by a new hexapole magnet with higher radial field and larger inner diameter.With this updating,stronger magnetic field confinement of the ECR plasma is possible and better base vacuum condition is also achieved.LECR2M was designed to be operated at 14.5GHz.During the preliminary test.1.3emA O6 beam was extracted with the injected rf power of 1.1kW.The source has been used to deliver intense MCI beams for different experiments.After some discussion of the main features of this newly updated source,some of the typical commissioning test results of LECR2M will be presented.  相似文献   

10.
The metal–ligand bonds in the M2–NH3 complexes (M = Au, Ag and Cu) are directional and the M–M–N angles tend to be linear. Natural energy decomposition analysis (NEDA) and localised molecular orbital energy decomposition analysis (LMOEDA) approaches indicate that the metal-ligand bonds in these complexes are mainly electrostatic in nature, however, the electrostatic is not the cause of the linearity of M–M–N arrangements. Instead, NEDA shows that the charge transfer and core repulsion are mainly responsible for the directionality of these bonds. In the LMOEDA point of view, the repulsion term is the main reason for the linearity of these complexes. Interacting quantum atoms (IQA) analysis shows that inter-atomic and inter-fragment interactions favour the nonlinear arrangements; however, these terms are compensated by the atomic self-energies, which stabilise the linear structure.  相似文献   

11.
合成了系列M2SiO4:Re(M=Mg,Ca,Ba;Re=Ce3+,Tb3+)样品,研究了样品在真空紫外区域的激发光谱和发射光谱。从激发谱可以看出:M2SiO4:Re(M=Mg,Ca,Ba;Re=Ce3+,Tb3+)在147,172nm有很强的吸收带。用Mg,Ca完全取代Ba2SiO4:Tb3+中的Ba,相对应的晶体的晶格参数逐渐增大,晶场的能量逐渐减少,其激发光谱随着碱土离子半径的增加向长波方向移动。在172nm真空紫外光激发下,观察到M2SiO4:Re(M=Mg,Ca,Ba;Re=Tb3+和M2SiO4:Re(M=Mg,Ca,Ba;Re=Ce3+,Tb3+)特征发射;在真空紫外激发下,随着M2SiO4:Re(M=Mg,Ca,Ba;Re=Ce3+,Tb3+)中Ce3+含量的增加,M2SiO4:Re的特征发射明显减弱,并分析讨论了相关发光现象的成因。  相似文献   

12.
We describe an architecture design and implementation of the optically transparent wavelength-division-multiplexed (WDM) asynchronous-transfer-mode (ATM) multicast (3M) switch for all optical high-speed networks. By using the WDM techniques, the wire complexity in both the switch fabric and the concentrator can be reduced from O(N2) to O(N). By using integrated photonic devices and highly parallel processing and pipeline control electronic circuits the switch is handling signals at the cell level (53 bytes) instead of at the bit level and can achieve very high speed and high throughput operation. Several key components, including a cell synchronizer, a photonic VCI over-writting unit, a wavelength converter, an optical concentrator, and a WDM memory, have also been proposed to realize this 3M switch. All of the photonic devices are highly integratable and are very suitable for building future large-scale, low-cost photonic ATM switches. A combination of both the ATM and WDM techniques will provide an ultimate version for optical networking with almost unlimited capacity.  相似文献   

13.
It is argued that the existence of the new compounds of glycine recently reported by M.M. Khandpekar et al. (Optics Commun. 284(2011) 1583 and Optics Commun. 284(2011) 1578) is dubious. We argue that these compounds are not what the authors propose. In addition, two more similar cases are indicated.  相似文献   

14.
根据原子与分子反应静力学和群论理论推导出二元合金小团簇M2Ga(M=Cu,Ag,Au)的离解极限和基态电子态.采用量子力学从头算方法及小核实赝势和相应的基组,对二元合金小团簇M2Ga进行几何优化,得到M2Ga基态(2B2)为弯曲平面型结构,并与单元团簇M3(M=Cu,Ag,Au)相似.计算得到合金团簇比单元团簇稳定,其中Au2Ga体系最稳定.同时给出谐振频率、力常数,并且分析得到电子相关效应使得团簇更加紧凑、稳定性增强.  相似文献   

15.
The available experimental and theoretical data on M1 and M2 states in 140Ce are analyzed. Comparison of the experimental form factors of inelastic scattering of electrons at 165° with DWBA calculations within the quasiparticle-phonon model shows that the experiment does not contradict the existence of noticeable M1 transitions in 140Ce.  相似文献   

16.
Defects created by a dc hydrogen plasma have been compared to those observed in n-GaAs exposed to an inductively coupled (ICP) Ar plasma. The reference sample (in the case of H-plasma treated material) contained two prominent native deep level electron traps, possibly M4 and EC−0.56 eV, which were both passivated by hydrogen. Plasma treatment also resulted in the formation of a defect observed at 0.58 eV (M3) below the conduction band. This defect transforms back into what is believed to be M4 when annealed at 350 K for 3 h under reverse bias. These two defects compare well with two similar defects observed in the Ar ICP treated samples also showing metastable behavior. Additionally, the electrical characterization of Schottky barrier diodes on n-GaAs, prior to and after hydrogen passivation shows that, depending on the plasma conditions, the plasma ions significantly damage the surface resulting in poor rectifying contacts. The damage is considerably reversed/repaired upon annealing between the room temperature and 573 K (300 °C).  相似文献   

17.
采用密度函数理论的B3LYP交换关联能泛函在6-311+G(2df,2p)基组水平上,优化计算了Ca+,Mg+与RNA碱基嘧啶各同分异构体形成稳定复合物的结构,发现其中C1M,T1M和U1M(M=Ca+和Mg+)为最稳定复合物,并对这些复合物红外振动进行了计算.计算结果显示碱基嘧啶单体主要存在的两个红外特征振动,是由环振动和环外氧原子及与其成键的环上碳原子之间产生伸缩振动引起的.当形成复合物时,由于离子的参与,使单体碱基分子的振动情况发生了改变,主要表现在离子倾向于与环外负电子原子N和O原子成键,使与离子直接作用环外原子参与的特征振动频率减小,谱线红移;不与离子直接作用环外原子引起的特征振动频率增大,谱线蓝移.  相似文献   

18.
Open M5-branes     
We show how, in heterotic M theory, an M5-brane in the 11-dimensional bulk may end on an "M9-brane" boundary, the M5-brane boundary being a Yang-monopole 4-brane. This possibility suggests various novel 5-brane configurations of heterotic M theory, in particular, a static M5-brane suspended between the two M9-brane boundaries, for which we find the asymptotic heterotic supergravity solution.  相似文献   

19.
介绍了 HL-2M 装置环向场(TF)线圈的工程设计、关键制造工艺及其调试结果。目前,TF 线圈最大通电电流达到 42kA,对应 TF 线圈产生的磁场为 0.66T,满足 HL-2M 装置初始放电需求。   相似文献   

20.
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