Why not use point charge models for the determination of bond angles? |
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| Authors: | Yuuzi Takahata,Toshiyuki Eri,Yasumasa J. I&#x Haya |
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| Affiliation: | Department of Materials Science, University of Electro-Communications, Chofu-shi, Tokyo 182, Japan |
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| Abstract: | Bond angles of several free radicals have been estimated using the point charge model together with ESR data and compared with those derived by Coulson's equation and the INDO method. The model is found to work well in predicting bond angles for most radicals just like the INDO method. Some relationships between the model and the INDO method are discussed. |
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