GRAPH THEORY AND SIMPLE HUECKEL THEORY APPLIED TO BENZENE
Guardado en:
| Autores: | , |
|---|---|
| 格式: | artículo original |
| 状态: | Versión publicada |
| Fecha de Publicación: | 2012 |
| 实物特征: | We compare the results of application of graph theory and of simple Hueckel theory in its traditional form to benzene, as an instance of a conjugated molecular system. The identity of the results of solution of eigenvalues of the vertex adjacency matrix and characteristic values of the Hueckel determinant prove the isomorphism of these two formalisms. Because of the gross deficiencies of the Hueckel theory, we advocate its elimination from the teaching of chemistry in favour of graph theory that has many applications to molecular topology. |
| País: | Portal de Revistas UCR |
| 机构: | Universidad de Costa Rica |
| Repositorio: | Portal de Revistas UCR |
| 语言: | Inglés |
| OAI Identifier: | oai:archivo.portal.ucr.ac.cr:article/3766 |
| 在线阅读: | https://archivo.revistas.ucr.ac.cr/index.php/cienciaytecnologia/article/view/3766 |
| Palabra clave: | graph theory hueckel theory adjacency matrix molecular topology benzene*** Palabras claves teoría de las gráficas teoría de hueckel matriz de adyacencia topología molecular benceno |