Charge Flipping at Work: A Case of Pseudosymmetry.
The article presents information on an application of the new ab initio charge flipping algorithm (CF) for structural chemists. The method can be used for the treatment of translational pseudometry. The CF algorithm worked on experimental data of both periodic and aperiodic crystals. The first ab in...
| Publicado en: | Journal of the American Chemical Society Vol. 128; no. 26; pp. 8392 - 8394 |
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| Autores principales: | , , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
7/5/2006
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |