因素空间理论与知识表示的数学框架(XⅢ)──描述架中概念的结构(2)

本文是［１，１２］的继续，研究描述架中概念的结构；本文讨论后半部分，内容涉及概念内涵与外延的转换，清晰关系的内投影与内变换，概念的结构＊以及有关问题的注记。     

Pseudo-Strong Regularity Around a Set

A generalization of strong regularity around a vertex subset C of a graph Γ, which makes sense even if Γis non-regular, is studied. Such a structure appears, together with a kind of distance-regularity around C , when an spectral bound concerning the so-called predistance polynomial of C is attained. As a main consequence of these results, it is shown that a regular (connected) graph Γwith d + 1 distinct eigenvalues is distance-regular, and its distance- d graph Γ d is strongly regular with parameters a = c , if and only if the number of vertices at distance d from each vertex satisfies an expression which depends only on the order of Γand the different eigenvalues of Γ.     

Characterization of supercommuting matrices

For a given n-by-n matrix A, we consider the set of matrices which commute with A and all of whose principal submatrices commute with the corresponding principal submatrices of A. The properties of this set are examined, with particular attention to its dimension.     

The traveling salesman problem in graphs with some excluded minors

Given a graph and a length function defined on its edge-set, the Traveling Salesman Problem can be described as the problem of finding a family of edges (an edge may be chosen several times) which forms a spanning Eulerian subgraph of minimum length. In this paper we characterize those graphs for which the convex hull of all solutions is given by the nonnegativity constraints and the classical cut constraints. This characterization is given in terms of excluded minors. A constructive characterization is also given which uses a small number of basic graphs.     

图中具有某种性质的子图

设ｇ和ｆ是定义在图Ｇ的顶点集合Ｖ（Ｇ）上的整数值函数且对每个ｘ∈Ｖ（Ｇ）都有０≤ｇ（ｘ）≤ｆ（ｘ）且ｇ（ｘ）和ｆ（ｘ）为偶数。本文证明了：若Ｇ是一个（ｍｇ＋ｋ－１,ｍｆ－ｋ＋１）－图,１≤ｋ≤ｍ,Ｈ是Ｇ中一个给定的有ｋ条边的子图,则Ｇ存在一个子图Ｒ使得Ｒ有一个（ｇ,ｆ）－因子分解与Ｈ正交。     

微机Windows 9X平台上的分子模拟技术

通过例子介绍了微机Windows平台上的分子模拟技术——分子结构的生成、分子力学量子化学计算及计算结果的图形显示等内容。     

Topological studies on heteroconjugated molecules

A graph-theoretical analysis of certain -electron properties of alternant molecules with one heteroatom is given. Topological formulas for total -electron energy, -electron charge density, bond order and various polarizabilities are derived. The main results of the paper are summarized in Rules 1-7.     

Chemical applications of topology and group theory

The 60 even permutations of the ligands in the five-coordinate complexes, ML ₅, form the alternating group A ₅, which is isomorphic with the icosahedral pure rotation group I. Using this idea, it is shown how a regular icosahedron can be used as a topological representation for isomerizations of the five-coordinate complexes, ML ₅, involving only even permutations if the five ligands L correspond either to the five nested octahedra with vertices located at the midpoints of the 30 edges of the icosahedron or to the five regular tetrahedra with vertices located at the midpoints of the 20 faces of the icosahedron. However, the 120 total permutations of the ligands in five-coordinate complexes ML ₅ cannot be analogously represented by operations in the full icosahedral point group I _h, since I _his the direct product I×C₂ whereas the symmetric group S ₅ is only the semi-direct product A ₅S₂. In connection with previously used topological representations on isomerism in five-coordinate complexes, it is noted that the automorphism groups of the Petersen graph and the Desargues-Levi graph are isomorphic to the symmetric group S ₅ and to the direct product S ₅×S ₂, respectively. Applications to various fields of chemistry are briefly outlined.     

Combinatorial Clar sextet theory

Clar structures recently used as basis-set to compute resonance energies [9] are identified as maximal independent sets of benzenoid hydrocarbons colored in a special way. Binomial properties of such objects are induced for several catafusenes and perifusenes (Eqs. 2–31). Novel polynomials, called Clar polynomials, are given for perifusens in terms of units of catafusenes which allow display and enumeration of the populations of their Clar structures. The work is particularly pertinent to that of [8] and [9].This paper is dedicated to Professor Eric Clar; the Doyen of aromatic chemistry.