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Density Functional Theory Study of the Cooperativity of Hydrogen Bonds in Finite and Infinite α-Helices

✍ Scribed by Ireta, Joel; Neugebauer, Jörg; Scheffler, Matthias; Rojo, Arturo; Galván, Marcelo


Book ID
126396501
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
8 KB
Volume
107
Category
Article
ISSN
0022-3654

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## Abstract The hydrogen bonds of 1:1 and 1:2 complexes formed between 4‐pyridinemethanol and water have been investigated using a density functional theory (DFT) method and 6‐311++G∗︁ ∗︁ basis set, and three and eight stable geometries have been obtained for 1:1 and 1:2 complexes, respectively. Th