Graph Theoretical Molecular Orbitals

Price: $54.00


Qty. 

Author: Edited by Tang Au-chin et al.
Language: English
Published on: 1986-01
Hardcover

The graph theory of molecular oribital provides a unified method for evaluating characteristic polynomials, molecular orbitals and other invariants in connection with Huckel matrices needed for investigating the molecular the manipulation is based on the relationship between the mathematical graphs and molecular fragments, it seems intuitive and easier for chemists to handle it. As a result, it facilitates the evaluation of graph invariants a closed forms in terms of a few other parameters for homologous series and provides the useful topological information.

In recent years, many papers haven published in chemical graph theory and a few monographis have appeared. This book deals with Huckel theory with graphical method based on the authors’ works published in Sientia Sinica and other Chinese journals between 1975-1980. it provides a simple and intuitive approach to get the characteristic polynomials, molecular orbitals and algebraic structure counts (ASC) without tedious calculation. Therefore, it will be of much avails for both physical and organic chemists.

The first chapter is an introduction to Huckel theory. Chapter 2 and 3 are devoted to a treatement of characteristic polynomials and molecular orbitals on Huckel graph. Then, a generaqlization to arbitrary eigenvalue problem is given in Chapter 4 chapters 5 and 6 discuss the stability and reactivity and orbital symmetry rule of conjugated systems as well. Chapter 7 is a supplement presenting some recent developments.



CONTENTS

Chapter 1 Simple Molecular Orbital Theory
Chapter 2 Graph Theory of Molecular Orbitals
Chapter 3 Reduction of Characteristic Polynomals
Chapter 4 The Graph Theory of Eigenvalue Polynomials
Chapter 5 The Stability and Reactivity of Conjugated Molecules
Chapter 6 The Principle of Conservation of Orbital Symmetry
Chapter 7 Some New Developments
Appendix



Sorry we ran out!

Fill out this form and we will let you know when it comes back in stock

Copyright © 2024 China Scientific Books.