About CoNTub

Our research group has developed the first computer program for determining the coordinates of heterojunctions between two arbitrary carbon nanotubes. This software is a set of tools dedicated to the construction of complex carbon nanotube structures for their use in computational chemistry. CoNTub v1.0 allows you to generate easily the geometry of two-tube heterojunctions, single walled nanotubes (SWNT) and multi-walled nanotubes (MWNT). CoNTub v2.0 builds C3-symmetric Y-junctions. New versions of CoNTub will allow you to generate other structures like Goldberg fullerenes, generalized Y-junctions, cones or different complex structures based on carbon nanotubes.

Access to CoNTub Versions:


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How to cite CoNTub v1.0

Cite CoNTub v1.0 as follows:

"CoNTub: an algorithm for connecting two arbitrary carbon nanotubes." S. Melchor; J.A. Dobado. J. Chem. Inf. Comput. Sci. 44, 1639-1646 (2004)

How to cite CoNTub v2.0

Cite CoNTub v2.0 as follows:

"CoNTub v2.0 - Algorithms for Constructing C3-Symmetric Models of Three-Nanotube Junctions." S. Melchor; F.J. Martin-Martinez; J.A. Dobado. J. Chem. Inf. Model. 2011, 51, 1492-1505.

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