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Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems

Modern chemistry seems to be unlimited in molecular size and elemental composition. Metal‐organic frameworks or biological macromolecules involve complex architectures and a large variety of elements. Yet, a general and broadly applicable theoretical method to describe the structures and interaction...

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Detalhes bibliográficos
Publicado no:Angew Chem Int Ed Engl
Main Authors: Spicher, Sebastian, Grimme, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7267649/
https://ncbi.nlm.nih.gov/pubmed/32343883
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.202004239
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