Evaluation of the individual hydrogen bonding energies inN-methylacetamide chains
β Scribed by XiaoNan Jiang; ChangSheng Wang
- Book ID
- 107349183
- Publisher
- SP Science China Press
- Year
- 2010
- Tongue
- English
- Weight
- 670 KB
- Volume
- 53
- Category
- Article
- ISSN
- 1674-7291
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## Abstract __A method is proposed to rapidly predict the hydrogen bond cooperativity in__ N__βmethylacetamide chains. The parameters needed are obtained from the fittings to the hydrogen bonding energies in the formamide chains containing 2 to 8 monomeric units. The scheme is then used to calculat
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Energy calculations in various approximations for small cationic water clusters have been used to estimate energy parameters in the @ Hamiltonian for proton movement in the chain of hydrogen-bonded molecules. It was shown that the coupling between protons on adjacent hydrogen bonds is far too small