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Application of cyclic boundary conditions in the CNDO/2 calculation of SiO2 clusters |
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| Authors: | P. Deák J. Kazsoki J. Giber |
| Affiliation: | Physical Institute of the Technical University, Budapest, Hungary |
| Abstract: | Preliminary studies on the possibility of eliminating the dangling bonds in a cluster model calculation by connecting the cluster into itself. The calculation was made on a SiO2 cluster, using the CNDO/2 method. |
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