Browsing by Subject "Hydrogen bondings"
Now showing items 1-2 of 2
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Article
Self-diffusivity, hydrogen bonding and density of different water models in carbon nanotubes
(2008)In this paper, the density, hydrogen bonding and self-diffusivity of water confined in carbon nanotubes are investigated. Molecular dynamics is used to simulate a large variety of nanotubes with various water models. Our ...
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Article
A systematic evaluation of the interplay of weak and strong supramolecular interactions in a series of Co(II) and Zn(II) complexes tuned by ligand modification
(2012)A systematic investigation on a designed series of 21 transition metal complexes has been carried out with the intention to explore and assess the relative strength and the way in which intermolecular interactions, namely, ...