International Journal of Molecular Sciences | |
Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by |
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S. Hori1  K. Yamauchi1  S. Kuroki1  | |
[1] Department of Chemistry and Materials Science, International Research Center of Macromolecular Science, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo 152, Japan | |
关键词:
NMR chemical shift;
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DOI : 10.3390/i3080907 | |
来源: mdpi | |
【 摘 要 】
NMR chemical shifts of the amide proton of a supermolecule, an N-methylacetamide hydrogen-bonded with a formamide, were calculated as functions of hydrogen-bond length RN…O and hydrogen-bond angles by FPT-GIAO method within the framework of HF/STO 6-31++G(d,p)
【 授权许可】
CC BY
© 2002 by MDPI (http://www.mdpi.org).
【 预 览 】
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