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Periodic DFT Calculations—Review of Applications in the Pharmaceutical Sciences

In the introduction to this review the complex chemistry of solid-state pharmaceutical compounds is summarized. It is also explained why the density functional theory (DFT) periodic calculations became recently so popular in studying the solid APIs (active pharmaceutical ingredients). Further, the m...

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Detalhes bibliográficos
Publicado no:Pharmaceutics
Main Authors: Mazurek, Anna Helena, Szeleszczuk, Łukasz, Pisklak, Dariusz Maciej
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7284980/
https://ncbi.nlm.nih.gov/pubmed/32369915
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/pharmaceutics12050415
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