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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Main Authors: Anna Helena Mazurek (Author), Łukasz Szeleszczuk (Author), Dariusz Maciej Pisklak (Author)
Format: Book
Published: MDPI AG, 2020-05-01T00:00:00Z.
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3rd Floor Main Library

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Call Number: A1234.567
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