CoNTub: An algorithm for connecting two arbitrary carbon nanotubes

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 5, 2004, Pages 1639-1646

  Melchor, Santiago ^a   Dobado, José A ^a  

^a UNIVERSITY OF GRANADA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALGEBRA; ALGORITHMS; COMPUTER SOFTWARE; DEFECTS; GEOMETRY; GRAPHITE; HETEROJUNCTIONS; NANOTECHNOLOGY; PROTEINS; SET THEORY; TOPOLOGY; VECTORS;

COMPLEX STRUCTURE; MULTIWALLED CARBON NANOTUBES; PENTAGONS; PROTEIN-DATA BANK (PDB);

CARBON NANOTUBES;

EID: 5444225773     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049857w     Document Type: Article

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26. In an effort to provide the most reliable and safe application, we have chosen not to save the files directly on the client's machine through a signed Java applet as the increasing number of computer viruses and malicious code prevents many users to allow local access to their computers. A short help and reference is given in the last panel.
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28. 39. The structures were geometrically optimized with the MM+ molecular mechanics method. Structure 4 was 25.3 kcal/mol lower in energy than 1, and structure 5 resulted in 21.2 and 58.6 kcal/mol lower than 2 and 3, respectively.