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:
Please e-mail us for any comments or suggestions
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.