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Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings
Through the graphical method proposed it is possible to set a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved if they are more than three. For 5-c rings three basic structures are required; the eventually different values...
Autores principales: | , , |
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Lenguaje: | eng |
Publicado: |
2001
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Materias: | |
Acceso en línea: | http://cds.cern.ch/record/747888 |
Sumario: | Through the graphical method proposed it is possible to set a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved if they are more than three. For 5-c rings three basic structures are required; the eventually different values are 12. Unlike the 6-c case it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings including heteroatoms the original degeneracy of benzene splits leading eventually to 60 different I sub r sub i sub n sub g values. |
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