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Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges

Electron density is a fundamental quantity that enables understanding of the chemical bonding in a molecule or in a solid and the chemical/physical property of a material. Because electrons have a charge and a spin, two kinds of electron densities are available. Moreover, because electron distributi...

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Detalhes bibliográficos
Publicado no:IUCrJ
Main Authors: Macchi, Piero, Gillet, Jean-Michel, Taulelle, Francis, Campo, Javier, Claiser, Nicolas, Lecomte, Claude
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4491316/
https://ncbi.nlm.nih.gov/pubmed/26175903
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252515007538
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