Symmetry and 1H NMR chemical shifts of short hydrogen bonds: impact of electronic and nuclear quantum effects
Author:
Affiliation:
1. Department of Chemistry and Chemical Biology
2. Institute for Quantitative Biomedicine
3. Rutgers University
4. Piscataway
5. USA
Abstract
Electronic and nuclear quantum effects determine the symmetry and highly downfield 1H NMR chemical shifts of short hydrogen bonds.
Funder
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06840F
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1. Strange Bedfellows: Interactions between Acidic Side-chains in Proteins
2. Short hydrogen bonds in proteins
3. Strong and weak hydrogen bonds in the protein-ligand interface
4. Short Carboxylic Acid–Carboxylate Hydrogen Bonds Can Have Fully Localized Protons
5. Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis
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