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Keywords = Multiple zipper nanotubes

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13 pages, 1056 KB  
Article
Algorithm for Nanotubes Computer Generation with Different Configurations
by M. Leonor Contreras, Eliseo Benítez, José Alvarez and Roberto Rozas
Algorithms 2009, 2(1), 108-120; https://doi.org/10.3390/a2010108 - 2 Feb 2009
Cited by 3 | Viewed by 12133
Abstract
The algorithm here described concerns generation, visualization, and modification of molecular nanostructures of single-walled nanotubes (NTs) of particular configurations (armchair, zipper, multiple zipper, zigzag, or chiral) by means of a Graphical User Interface (GUI). NTs are made from a carbon graphene sheet created [...] Read more.
The algorithm here described concerns generation, visualization, and modification of molecular nanostructures of single-walled nanotubes (NTs) of particular configurations (armchair, zipper, multiple zipper, zigzag, or chiral) by means of a Graphical User Interface (GUI). NTs are made from a carbon graphene sheet created according to certain parameters defining required nanostructures. Generated NTs can easily be modified by replacing carbon atoms for nitrogen or boron, visualized and exported into a standard format useful as input to be analyzed and submitted to other applications in order to get optimized geometries and to carry out further calculations of molecular and electronic properties. Full article
(This article belongs to the Special Issue Algorithms and Molecular Sciences)
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