Geometry of Chemical Graphs.pdf

Geometry of Chemical Graphs

Michel Deza

Polycycles and symmetric polyhedra appear as generalisations of graphs in the modelling of molecular structures, such as the Nobel prize winning fullerenes, occurring in chemistry and crystallography. The chemistry has inspired and informed many interesting questions in mathematics and computer science, which in turn have suggested directions for synthesis of molecules. Here the authors give access to new results in the theory of polycycles and two-faced maps together with the relevant background material and mathematical tools for their study. Organised so that, after reading the introductory chapter, each chapter can be read independently from the others, the book should be accessible to researchers and students in graph theory, discrete geometry, and combinatorics, as well as to those in more applied areas such as mathematical chemistry and crystallography. Many of the results in the subject require the use of computer enumeration

Geometry of Chemical Graphs - Michel Deza - Englische ...

5.98 MB DATEIGRÖSSE
9780511889455 ISBN
Englisch SPRACHE
Geometry of Chemical Graphs.pdf

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Sofia Voigt

So graph theory is a kind of geometry but geometry that does not use "metrical" information directly. Graph of methane. Figure 5 (Graph representing methane).

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Matteo Müller

Topological indices are graph invariants computed by the distance or degree of vertices of the molecular graph. In chemical graph theory, topological indices ...

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Noel Schulze

Polycycles and symmetric polyhedra appear as generalizations of graphs in the modeling of molecular structures, such as the Nobel prize winning fullerenes, occurring in chemistry and crystallography. The chemistry has inspired and informed many interesting questions in mathematics and computer

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Jason Lehmann

The main geometries without lone pair electrons are: linear, trigonal, tetrahedral, trigonal bipyramidal, and octahedral. Key Terms. VSEPR Theory: a chemistry ...

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Jessica Kohmann

Thus, how to exactly transfer the chemical formula (or molecular graph) ... suring molecular branching, shape, size, cyclicity, symmetry, centricity and complexity.