Calculation of trans-Hydrogen-Bond 13C−15N Three-Bond and Other Scalar J-Couplings in Cooperative Peptide Models. A Density Functional Theory Study
Author:
Affiliation:
1. Contribution from the Department of Chemistry, City University of New York - Hunter College and the Graduate School, 695 Park Avenue, New York, New York 10021
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja0492788
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1. Direct Observation of Hydrogen Bonds in Nucleic Acid Base Pairs by Internucleotide 2JNN Couplings
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4. Identification of the Hydrogen Bonding Network in a Protein by Scalar Couplings
5. Quantum Chemical Modeling of Through-Hydrogen Bond Spin-Spin Coupling in Amides and Ubiquitin
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