A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides

Using density functional theory (DFT) and the information-theoretic approach (ITA) quantities to appreciate the energetics and properties of biopolymers is still an unaccomplished and ongoing task. To this end, we studied the building blocks of nucleic acid base pairs and small peptides. For base pa...

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Bibliographic Details
Main Authors: Dongbo Zhao (Author), Shubin Liu (Author), Dahua Chen (Author)
Format: Book
Published: MDPI AG, 2022-07-01T00:00:00Z.
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3rd Floor Main Library

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