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Theoretical approach to the calculation of the interaction energy between a copper ion and the α-CuI lattice

✍ Scribed by M.R. Prat; R.A. Montani; J.A. Schmidt

Book ID
113300544
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
124 KB
Volume
44
Category
Article
ISSN
0254-0584

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## Abstract DFT calculations have been carried out to describe the pathway of a sodium ion along the stacking direction of a tubular structure set up by five cyclopeptidic units, which can be considered a suitable model of a hollow tubular structure of indefinite length. A lattice of points inside