Analysis of Non-innocence of Phosphaquinodimethane Ligands when Charge and Aromaticity Come into Play

Several phosphaquinodimethanes and their M(CO)₅ complexes (M=Cr, Mo, W) and model derivatives have been theoretically investigated regarding the quest of non-innocence. Computed structural and electronic properties of the P-Me/NH₂ substituted phosphaquinodimethanes and tungsten complexes revealed an interesting non-innocent ligand behaviour for the radical anion complexes with distonic ion character and a strong rearomatization of the middle phenyl ring. The latter was further probed taking also geometric aromaticity (HOMA) and quinoid distortion parameters (HOMQc) into account, as well as NICS(1). Furthermore, the effect of the P-substitution was investigated for real (or plausible) complexes and their free ligands focusing on the resulting aromaticity at the middle phenyl ring and vertical one-electron redox processes. The best picture of ligand engagement in redox changes was provided by representing NICS(1) values versus HOMA and the new geometric distortion parameter HOMQc8.     

基于频率调制激光驱动的囚禁离子几何相位逻辑门

为了避免激光相位的起伏对几何相位逻辑门保真度的影响, 提出一种基于囚禁离子的量子几何相位逻辑门的新方案。该机制是利用一束频率调制的行波激光场作用于两个囚禁离子上实现的。它的优点有：操作简单,仅需一步就能实现。不灵敏于激光场的相位也不需要对囚禁离子进行个别寻址。     

几何画板模拟阿贝折射仪测折射率

几何画板模拟阿贝折射仪测量液体折射率的过程,相对传统教学手段,更加科学直观并动态演示。通过修改棱镜折射率和待测液体折射率的参数,通过直观几何光学分析,得到为何阿贝折射仪必须满足棱镜折射率大于待测折射率。利用程序易修改特点研究,棱镜不同顶角和考虑色散现象的模拟结果,定量研究差别。     

Nonlinear free vibrations of porous composite microplates incorporating various microstructural-dependent strain gradient tensors

The main objective of the present numerical analysis is to predict the nonlinear frequency ratios associated with the nonlinear free vibration response of porous composite plates at microscale in the presence of different microstructural gradient tensors. To achieve this end, by taking cubic-type elements into account, isogeometric models of porous composite microplates are obtained with and without a central cutout and relevant to various porosity patterns of distribution along the plate thickness. The established unconventional models have the capability to capture the effects of various unconventional gradient tensors continuity on the basis of a refined shear deformable plate formulation. For the simply supported microsized uniform porous functionally graded material (U-PFGM) plate having the oscillation amplitude equal to the plate thickness, it is revealed that the rotation gradient tensor causes to reduce the frequency ratio about 0.73%, the dilatation gradient tensor causes to reduce it about 1.93%, and the deviatoric stretch gradient tensor leads to a decrease of it about 5.19%. On the other hand, for the clamped microsized U-PFGM plate having the oscillation amplitude equal to the plate thickness, these percentages are equal to 0.62%, 1.64%, and 4.40%, respectively. Accordingly, it is found that by changing the boundary conditions from clamped to simply supported, the effect of microsize on the reduction of frequency ratio decreases a bit.

     

统计深度的几何推广

改进统计深度的定义,并将点的深度概念推广到直线与平面的深度,由此得到深度计算的基本定理和深度的一系列性质.最后讨论应用展望.     

SHORT COMMUNICATION SECTION Some Geometric Flows on Kahler Manifolds

We define a kind of KdV （Korteweg-de Vries） geometric flow for maps from a real line or a circle into a Kahler manifold （N,J,h） with complex structure J and metric h as the generalization of the vortex filament dynamics from a real line or a circle. By using the geometric analysis, the existence of the Cauchy problems of the KdV geometric flows will be investigated in this note.     

Density functional investigations for geometric and electronic properties of In4M and In12M （M = C,Si, In） clusters

First-principle calculations are performed to study geometric and electronic properties of both neutral and anionic In4M and In12M （M = C, Si, In） clusters. In4C and In4Si are found to be tetrahedral molecules. The icosahedral structure is found to be unfavourable for In12M. The most stable structure for In12C is a distorted buckled biplanar structure while for In12Si it is of an In-cage with the Si located in the centre. Charge effect on the structure of In12M is discussed. In4C has a significantly large binding energy and an energy gap between the highest-occupied molecularorbital level and the lowest unoccupied molecular-orbital level, a low electron affinity, and a high ionization potential, which are the characters of a magic cluster, enriching the family of doped-group-IIIA metal clusters for cluster-assembled materials.     

Decompositions of Fundamental Groups of Closed Surfaces into Free Constructions

Let T be a closed surface. It is proven that any decomposition of ₁(T,x) into an amalgamated product (or, more generally, into the fundamental group of a finite graph of groups) with f.g. edge group(s) is almost geometric. A problem of H. Zieschang is solved and the edge rigidity property is investigated.     

Lower Bounds on the State Complexity of Geometric Goppa Codes

We reinterpret the state space dimension equations for geometric Goppa codes. An easy consequence is that if deg then the state complexity of is equal to the Wolf bound. For deg , we use Clifford's theorem to give a simple lower bound on the state complexity of . We then derive two further lower bounds on the state space dimensions of in terms of the gonality sequence of . (The gonality sequence is known for many of the function fields of interest for defining geometric Goppa codes.) One of the gonality bounds uses previous results on the generalised weight hierarchy of and one follows in a straightforward way from first principles; often they are equal. For Hermitian codes both gonality bounds are equal to the DLP lower bound on state space dimensions. We conclude by using these results to calculate the DLP lower bound on state complexity for Hermitian codes.