Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea
The Quantum Theory of Atoms in Molecules, due to Bader, is applied to periodic systems. Results for molecular and crystalline urea are presented. Changes in both bond critical points and atomic properties due to changes of chemical environment are described. A rationale for the different lengths of...
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| Veröffentlicht in: | The Journal of chemical physics 1994-12, Vol.101 (12), p.10686-10696 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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