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Trans-Hydrogen-Bond h2J NN and h1J NH Couplings in the DNA A−T Base Pair: Natural Bond Orbital Analysis

✍ Scribed by Wilkens, Steven J.; Westler, William M.; Weinhold, Frank; Markley, John L.

Book ID: 120328831
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 38 KB
Volume: 124
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja017169c

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## Abstract In the series of diaminoenones, large high‐frequency shifts of the ^1^H NMR of the NH group in the __cis__‐position relative to the carbonyl group suggests strong NH···O intramolecular hydrogen bonding comprising a six‐membered chelate ring. The NH···O hydrogen bond causes an increas