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Quantum crystallography
Approximate wavefunctions can be improved by constraining them to reproduce observations derived from diffraction and scattering experiments. Conversely, charge density models, incorporating electron-density distributions, atomic positions and atomic motion, can be improved by supplementing diffract...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5576428/ https://ncbi.nlm.nih.gov/pubmed/28878872 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc05504d |
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