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发表于 2025-3-21 19:53:24 | 显示全部楼层 |阅读模式
书目名称Graph Theoretical Approaches to Chemical Reactivity
编辑Danail Bonchev,Ovanes Mekenyan
视频video
丛书名称Understanding Chemical Reactivity
图书封面Titlebook: ;
出版日期Book 1994
版次1
doihttps://doi.org/10.1007/978-94-011-1202-4
isbn_softcover978-94-010-4526-1
isbn_ebook978-94-011-1202-4
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发表于 2025-3-21 21:24:57 | 显示全部楼层
Discrete Representations of Three-Dimensional Molecular Bodies and Their Shape Changes in Chemical els that take into account the space requirements of molecules, a molecular surface is regarded as a formal molecular boundary that separates the three-dimensional (3D) space into two parts. The part of space enclosed by the surface is regarded as a molecular body that is assumed to represent the entire molecule.
发表于 2025-3-22 02:19:28 | 显示全部楼层
https://doi.org/10.1007/978-3-319-05146-8ve a vivid picture of the behavior of the wave functions, a simple description of the essence of the factors which determine cohesion and an understanding of the origins of variation in properties from metal to metal.”
发表于 2025-3-22 06:29:52 | 显示全部楼层
,Topological Control of Molecular Orbital Theory: A Comparison of µ2-Scaled Hückel Theory and Restrive a vivid picture of the behavior of the wave functions, a simple description of the essence of the factors which determine cohesion and an understanding of the origins of variation in properties from metal to metal.”
发表于 2025-3-22 10:22:19 | 显示全部楼层
发表于 2025-3-22 14:38:19 | 显示全部楼层
https://doi.org/10.1007/978-3-211-35310-3to find some symbiosis between these two different levels of description of molecular structure; only in recent years the desired compromise seems to have been found in the topological nature of both the quantum-mechanical and classical models of the molecular structure.
发表于 2025-3-22 21:04:21 | 显示全部楼层
Polyhedral Dynamics,n Figure 1. The topology of a polyhedron can be described by a graph, called the 1-skeleton of the polyhedron. The vertices and edges of the 1-skeleton correspond to the vertices and edges, respectively, of the underlying polyhedron.
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发表于 2025-3-23 07:15:34 | 显示全部楼层
https://doi.org/10.1007/978-3-319-04199-5o becoming a powerful device in the hands of chemists.. A graph-theoretical analysis of the MO theory at the level of the Hückel approximation was carried out by a number of authors, e.g.6-10 A pioneering work on the relationship between graph theory and the MO theory at the . level was recently acc
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