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Watching Hydrogen Bonds Break: A Transient Absorption Study of Water

✍ Scribed by Steinel, Tobias; Asbury, John B.; Zheng, Junrong; Fayer, M. D.

Book ID: 126193351
Publisher: American Chemical Society
Year: 2004
Tongue: English
Weight: 230 KB
Volume: 108
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp046711r

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## Abstract The B3LYP/D95+(d,p) analysis of the uncharged low barrier hydrogen bond (LBHB) between 4‐methyl‐1__H__‐imidazole (Mim) and acetic acid (HAc) shows that uncharged LBHBs can be formed either by adding three water molecules around the cluster or by placing the Mim–HAc pair in a dielectric