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Do the basic crystal chemistry principles agree with a plethora of recent quantum chemistry data?
The main descriptors of chemical bonding such as bond order (BO) and electron density at the bond critical point, ρ(c), are customarily used to understand the crystal and electronic structure of materials, as well as to predict their reactivity and stability. They can be obtained in the framework of...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6126658/ https://www.ncbi.nlm.nih.gov/pubmed/30224957 http://dx.doi.org/10.1107/S2052252518008254 |