无法生存 发表于 2025-3-21 18:24:57

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不容置疑 发表于 2025-3-21 23:22:13

Some Interrelations between Symmetry and Automorphism Groupsatoms about their mean positions are discussed in terms of . (see paragraph 8.4.3). This concept begins to break down when an internal degree of freedom (e.g. the torsion of a methyl group) becomes fully excited. As the shall show later, automorphism groups of the molecular graph are well-suited to treat the symmetry in non-rigid molecules.

Sinus-Rhythm 发表于 2025-3-22 02:21:37

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欢呼 发表于 2025-3-22 05:48:41

Fundamentals of Graph Theoryf molecular graphs. The present chapter will, finally, provide a precise mathematical characterization of a graph. We shall list here a number of additional graph-theoretical definitions and mention a few basic properties of graphs.

最初 发表于 2025-3-22 12:41:17

Graph Theory and Molecular Orbitalsmolecules. The wave function for a .-electron is presented in the LCAO form . where {.> symbolizes a .-vorbital located on the .-th atom of the conjugated molecule, and the summation goes over all . atoms which participate in the conjugation.

财政 发表于 2025-3-22 14:37:09

Topological Indicesthe information contained in the molecular graph into a numerical characteristic. Every number which is uniquely determined by a graph is called a graph invariant. Those invariants of molecular graphs which are used for structure-property or structure-activity correlations are usually called topological indices (of the corresponding molecule).

尾随 发表于 2025-3-22 17:08:24

Topological Aspects in ChemistrySince the time of ., chemists are used to thinking about molecules as geometric objects in which atoms have a certain spatial arrangement. The geometric parameters of molecules (interatomic distances, bond angles, dihedral angles, etc.) can be measured with a rather high degree of accuracy and are indeed known in a considerable number of cases.

上釉彩 发表于 2025-3-22 23:54:17

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emission 发表于 2025-3-23 03:40:47

Special Molecular GraphsIn graph theory a connected acyclic graph is called a tree. Hence we may say that the topology of acyclic molecules is represented by trees; the essential topological properties of acyclic molecules coincide with those of trees. In the following we shall get acquainted with the basic properties of trees.

Arresting 发表于 2025-3-23 06:55:37

Fundamentals of Group TheoryGroups are sets of elements amended with a combination law that satisfies certain conditions (axioms).
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查看完整版本: Titlebook: Mathematical Concepts in Organic Chemistry; Ivan Gutman,Oskar E. Polansky Textbook 1986 Springer-Verlag Berlin Heidelberg 1986 algebra.che