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An estimation of energy parameters for the soliton movement in hydrogen-bonded chains

✍ Scribed by Adam Godzik

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
402 KB
Volume
171
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 to support cooperative proton movement of the soliton type in such chains.

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