Algorithm for Nanotubes Computer Generation with Different Configurations
AbstractThe 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.
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Contreras, M.L.; Benítez, E.; Alvarez, J.; Rozas, R. Algorithm for Nanotubes Computer Generation with Different Configurations. Algorithms 2009, 2, 108-120.
Contreras ML, Benítez E, Alvarez J, Rozas R. Algorithm for Nanotubes Computer Generation with Different Configurations. Algorithms. 2009; 2(1):108-120.Chicago/Turabian Style
Contreras, M. Leonor; Benítez, Eliseo; Alvarez, José; Rozas, Roberto. 2009. "Algorithm for Nanotubes Computer Generation with Different Configurations." Algorithms 2, no. 1: 108-120.