THERMOCHEMISTRY OF HETEROATOMIC COMPOUNDS,XX. THEORETICAL CALCULATIONS OF THE VAPORIZATION ENTHALPIES OF ALKYLARSINES,STIBINES, AND BISMUTHINES

The vaporization enthalpies (ΔH _vap ) of 26 primary, secondary, and tertiary alkylarsines, stibines, and bismuthines were calculated using the Trouton and Wadso equations and the first-order topological solvation index, ¹ χ ^S . The contributions to vaporization enthalpy for ─AsH ₂ (16.6 ± 0.2), > AsH (16.7 ± 0.1) groups and As(III)-atom in R ₃ As (13.7 ± 1.0), ─SbH ₂ (22.0 ± [2.0]), > SbH (19.0 ± [2.0]) groups and Sb(III)-atom in R ₃ Sb (12.7 ± 3.5), ─BiH ₂ (26.3 ± [2.2]), > BiH (24.3 ± [2.2]) groups and Bi(III)-atom in R ₃ Bi (16.2 ± 3.1 kJ mol^?1 ) were calculated.     

Teo的C~2模型与其它稠合规则之间关系的研究

提出了一个稠合型簇合物的稠合规则,讨论了唐氏拓扑结构规则和Mingos稠合规则的推广,扩大了两个稠合规则的应用范围.研究了在稠合型簇合物中Teo的C2模型与Mingos稠合规则、推广的唐氏拓扑结构规则和本文提出的稠合规则之间的关系.同时,利用提出的稠合型簇合物的稠合规则导出了超级簇合物"clusters of clusters"中原子和电子之间存在的魔数关系.     

Strain engineering of topological properties in lead‐salt semiconductors

Rock‐salt chalcogenide SnTe represents the simplest realization of a topological insulator where a crystal symmetry allows for the appearance of surface metallic states. Here, we theoretically predict that strain, as realized in thin films grown on (001) substrates, may induce a transition to a topological crystalline insulating phase in related lead‐salt chalcogenides. Furthermore, relevant topological properties of the surface states, such as the location of the Dirac cones on the surface Brillouin zone or the decay length of edge states, appear to be tunable with strain, with potential implications for technological devices benefiting from those additional degrees of freedom. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Molecular Graph Matrices and Derived Structural Descriptors

Abstract

A number of recently graph matrices encoding in various ways the topological information is presented. Four graph operators are used to compute 19 topological indices for a set of 306 alkanes. The intercorrelation coefficients of the 19 topological indices are computed and used to identify highly intercorrelated indices.     

Noncoercive mixed equilibrium problems under pseudomonotone perturbations and applications to nonlinear evolution equations with lack of coercivity

In this paper, we study the existence of solutions for noncoercive mixed equilibrium problems which are described by the sum of a maximal monotone bifunction and a pseudomonotone (or quasimonotone) bifunction in the sense of Brézis. Our approach is based on recession analysis and on recent results established by the authors for the existence of solutions of mixed equilibrium problems under pseudomonotone perturbations. As an application, we study the existence of solutions for nonlinear evolution equations associated with a noncoercive time-dependent pseudomonotone (or quasimonotone) operator.     

图映射拓扑序列熵的可交换性

主要研究图上连续自映射拓扑序列熵的可交换性,证明了对任意无界的正整数递增序列A=(ai)∞i=1和任意的连续图映射f,g都有hA(fog):hA(g of).解决了Balibrea F等人在相关文献中提出的一个猜想.     

对称拓扑分子格的直和

文章给出了对称拓扑分子格的直和概念,给出了拓扑分子格的直和的特征,证明了对称拓扑分子格的分离性Ti(i=-1,0,1,2)及可数性CⅠ,CⅡ是可和性质.