Published in
American Chemical Society, Journal of Physical Chemistry C, 28(111), p. 10342-10346, 2007
DOI: 10.1021/jp071246u
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Prediction of Gold Zigzag Nanotube-like Structure Based on Au32Units: A Quantum Chemical Study
Journal article published in 2007 by
Frederik Tielens 
,
Juan Andrés
,
Juan Andrés
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Abstract
The present study using theoretical methods based on density functional theory (DFT) discloses the conceivable existence of polymers composed of Au-32 (I-h) units corresponding to a conducting zigzag nanotube-like structure. The properties and reactivity of Au-32 cage-hollow structures as well as their corresponding assembled polymers have been analyzed by means of DFT descriptors.