Graphical linking of a MO multicenter bond index to VB structures |
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| Authors: | Carlos Guido Bollini Mario Giambiagi Myriam Segre de Giambiagi Aloysio Paiva de Figueiredo |
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| Institution: | (1) Fac. Cs. Exactas, Univ. La Plata, Depto. Física, C. C. 67, La Plata, Argentina;(2) Comision de Investigaciones de la Pcia. de Buenos Aires, La Plata, Argentina;(3) Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ, Brasil;(4) Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ, Brasil |
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| Abstract: | The multicenter bond index proposed within the MO framework depends on the order of the centers for which it is calculated, outside from the 3-c case. For the 6-c case, the eventually different values are 60. A graphical approach links the MO values to VB structures. Benzene, chosen as our paradigm for the 6-c case, illustrates our proposition. |
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| Keywords: | multicenter bond index VB structures benzene |
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