Spatially restricted Double Z-Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets

As part of previous studies, we introduced a new type of basis function named Simplified Box Orbitals (SBOs) that belong to a class of spatially restricted functions which allow the zero differential overlap (ZDO) approximation to be applied with complete accuracy. The original SBOs and their Gaussian expansions SBO-3G form a minimal basis set, which was compared to the standard Slater-type orbital basis set (STO-3G). In the present paper, we have developed the SBO basis functions at double-zeta (DZ) level, and we have assessed the option of expanding the SBO-DZ as a combination of Gaussian functions. Finally, we have determined the quality of the new basis set by comparing the molecular properties calculated with SBO-nG with those achieved with some standard basis sets.     

Counting restricted orientations of random graphs

We count orientations of avoiding certain classes of oriented graphs. In particular, we study , the number of orientations of the binomial random graph in which every copy of is transitive, and , the number of orientations of containing no strongly connected copy of . We give the correct order of growth of and up to polylogarithmic factors; for orientations with no cyclic triangle, this significantly improves a result of Allen, Kohayakawa, Mota, and Parente. We also discuss the problem for a single forbidden oriented graph, and state a number of open problems and conjectures.     

Mathematical analysis of the dynamics of COVID-19 in Africa under the influence of asymptomatic cases and re-infection

Coronavirus pandemic (COVID-19) hit the world in December 2019, and only less than 5% of the 15 million cases were recorded in Africa. A major call for concern was the significant rise from 2% in May 2020 to 4.67% by the end of July 15, 2020. This drastic increase calls for quick intervention in the transmission and control strategy of COVID-19 in Africa. A mathematical model to theoretically investigate the consequence of ignoring asymptomatic cases on COVID-19 spread in Africa is proposed in this study. A qualitative analysis of the model is carried out with and without re-infection, and the reproduction number is obtained under re-infection. The results indicate that increasing case detection to detect asymptomatically infected individuals will be very effective in containing and reducing the burden of COVID-19 in Africa. In addition, the fact that it has not been confirmed whether a recovered individual can be re-infected or not, then enforcing a living condition where recovered individuals are not allowed to mix with the susceptible or exposed individuals will help in containing the spread of COVID-19.     

基于ANP法的股权激励模式选择研究

本文对企业如何科学合理地选择股权激励模式问题进行研究探讨。不仅考虑到以往研究中的企业特征因素,同时也考虑了激励对象特征因素和外部实施环境因素,建立股权激励模式选择指标体系,并分析各指标间的依存关系,基于此构建了ANP网络结构模型,并选取两个代表性样本企业进行算例验证和应用,最终使得不同企业可根据自身的实际情况选择合适的股权激励模式,验证了该模型的合理性与可行性。     

限制pre-李代数

研究限制pre-李代数的结构,给出了限制pre-李代数和可限制pre-李代数的定义,得到了限制pre-李代数的p-映射性质和可限制pre-李代数的性质,还讨论了带有半单元的限制pre-李代数及拟环面限制pre-李代数和分解唯一性定理.     

Modified classification of non-self-adjoint second-order difference equations

This paper is concerned with the classification of non-self-adjoint second-order difference equations. The relationship between the number of summable solutions of non-self-adjoint difference equations and that of the discrete linear Hamiltonian system is discussed. A classification for non-self-adjoint second-order difference equations is established, which is independent of the choice of the rotated half plane and the fixed point.     

化工原理课程思政教学改革与实践

介绍了化工原理课程思政的育人目标,据此构建课程内容与育人元素的支撑矩阵;融入绿色工程理念,确定课程对绿色工程十二项原则指标点的支撑;深度融合信息技术,基于原有慕课建设专门的课程思政慕课;以精馏章节为例,分享化工原理课程思政教学案例设计思路和方案。同时,对学生测评和学习成果、育人点、重要性及切入自然性进行调研评价,说明通过课程思政教学实践,在潜移默化中培养学生树立正确的世界观、人生观和价值观。为化工类专业课程思政教学提供参考和借鉴。     

On a class of Riemann surfaces

It is considered the class of Riemann surfaces with dimT1 = 0, where T1 is a subclass of exact harmonic forms which is one of the factors in the orthogonal decomposition of the spaceΩH of harmonic forms of the surface, namely The surfaces in the class OHD and the class of planar surfaces satisfy dimT1 = 0. A.Pfluger posed the question whether there might exist other surfaces outside those two classes. Here it is shown that in the case of finite genus g, we should look for a surface S with dimT1 = 0 among the surfaces of the form Sg\K , where Sg is a closed surface of genus g and K a compact set of positive harmonic measure with perfect components and very irregular boundary.     

Monte Carlo Simulations of Observation Time-Dependent Self-Diffusion in Porous Media Models

Observation time-dependent self-diffusion coefficients can be used to obtain microstructural information of porous media. This paper presents two different kinds of Monte Carlo simulations of the self diffusion process of fluids like water in porous systems, a lattice-free method and a lattice-based method. The results for simple porous media model geometries agree well with each other and with published analytical as well as semi-analytical equations. The use of these equations, which are important for the interpretation of Pulsed Field Gradient-Nuclear Magnetic Resonance (PFG-NMR) time-dependent diffusion data with respect to properties of porous media, is discussed.