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Theoretical Studies of Protium/Deuterium Fractionation Factors and Cooperative Hydrogen Bonding in Peptides

✍ Scribed by Edison, Arthur S.; Weinhold, Frank; Markley, John L.


Book ID
125966822
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
891 KB
Volume
117
Category
Article
ISSN
0002-7863

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## Abstract In the spirit of the work of Blaise et al. [J Chem Phys, 2005, 122, 64306], we have extended their quantum theoretical approach by accounting for the intrinsic anharmonicity of the slow frequency mode, which is described by a Morse potential to reproduce the polarized infrared line shap