Proton transfer reaction of the formamide and its derivatives characterized via the Kohn

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Proton transfer reaction of the formamide and its derivatives characterized via the Kohn–Sham potential

Published:2021-10 Issue: Volume:1204 Page:113385
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Ma Jing,Zhao Jian,Zhao Dong-Xia

Funder

National Natural Science Foundation of China

Foundation for Innovative Research Groups of the National Natural Science Foundation of China

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference36 articles.

1. Peptoids and Polypeptoids at the Frontier of Supra- and Macromolecular Engineering;Gangloff;Chem. Rev.,2016

2. Hydration effects on proton transfer reactions in the catalytic triad Ser-His-Glu;Tachikawa;Chem. Phys.,2021

3. Proton transfer reactions and hydrogen-bond networks in protein environments;Ishikita;J. R. Soc. Interface,2014

4. One-and Two-Proton Transfer Mechanisms Coexist in One Active Site;Zhao;J. Phys. Chem. B,2020

5. Atomic decomposition of conceptual DFT descriptors: application to proton transfer reactions;Inostroza-Rivera;Phys. Chem. Chem. Phys.,2015

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