{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T04:39:30Z","timestamp":1760243970092,"version":"build-2065373602"},"reference-count":14,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2009,2,2]],"date-time":"2009-02-02T00:00:00Z","timestamp":1233532800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Algorithms"],"abstract":"<jats:p>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.<\/jats:p>","DOI":"10.3390\/a2010108","type":"journal-article","created":{"date-parts":[[2009,2,2]],"date-time":"2009-02-02T14:24:15Z","timestamp":1233584655000},"page":"108-120","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Algorithm for Nanotubes Computer Generation with Different Configurations"],"prefix":"10.3390","volume":"2","author":[{"given":"M. Leonor","family":"Contreras","sequence":"first","affiliation":[{"name":"Environmental Sciences Department, Faculty of Chemistry and Biology, University of Santiago de Chile, Usach, Avda. L. B. O\u2019Higgins 3363, Santiago, Chile"}]},{"given":"Eliseo","family":"Ben\u00edtez","sequence":"additional","affiliation":[{"name":"Informatics Department, Faculty of Engineering, University of Santiago de Chile, Usach, Avda. Ecuador 3659, Santiago, Chile"}]},{"given":"Jos\u00e9","family":"Alvarez","sequence":"additional","affiliation":[{"name":"Informatics Department, Faculty of Engineering, University of Santiago de Chile, Usach, Avda. Ecuador 3659, Santiago, Chile"}]},{"given":"Roberto","family":"Rozas","sequence":"additional","affiliation":[{"name":"Environmental Sciences Department, Faculty of Chemistry and Biology, University of Santiago de Chile, Usach, Avda. L. B. O\u2019Higgins 3363, Santiago, Chile"}]}],"member":"1968","published-online":{"date-parts":[[2009,2,2]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"025709","DOI":"10.1088\/0957-4484\/19\/02\/025709","article-title":"Behavior of a Single Nitrogen Molecule on the Pentagon at a Carbon Nanotube Tip: a First-Principles Study","volume":"19","author":"Ganji","year":"2008","journal-title":"Nanotechnology"},{"key":"ref_2","first-page":"1","article-title":"Introduction to the Important and Exciting Aspects of Carbon-Nanotube Science and Technology","volume":"111","author":"Jorio","year":"2008","journal-title":"Topics Appl. Phys."},{"key":"ref_3","unstructured":"Curtiss, L.A., Sternberg, M., Zapol, P., Gruen, D.M., Kedziora, G., Redfern, P.C., and Horner, D.A. 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Lett."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1579","DOI":"10.1103\/PhysRevLett.68.1579","article-title":"New One-Dimensional Conductors: Graphitic Microtubules","volume":"68","author":"Hamada","year":"1992","journal-title":"Phys. Rev. Lett."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"495706","DOI":"10.1088\/0957-4484\/18\/49\/495706","article-title":"A Hybrid Density Functional Study of Zigzag SiC Nanotubes","volume":"18","author":"Alam","year":"2007","journal-title":"Nanotechnology"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1007\/b98167","article-title":"Discrete Organic Nanotubes Based on a Combination of Covalent and Non-Covalent Approaches","volume":"245","author":"Block","year":"2005","journal-title":"Top. Curr. Chem."},{"key":"ref_10","unstructured":"Maruyama, S. Nanotube coordinate generator with a Viewer for Windows. (http:\/\/www.photon.t.u-tokyo.ac.jp\/~maruyama\/wrapping3\/wrapping.html)."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1021\/ci049857w","article-title":"CoNTube: An Algorithm for Connecting Two Arbitrary Carbon Nanotubes","volume":"44","author":"Melchor","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref_12","unstructured":"Yoon, M., Han, S., Kim, G., Lee, S., Berber, S., Osawa, E., Ihm, J., Terrones, M., Banhart, F., Charlier, J.-C., Grobert, N., Terrones, H., Ajayan, P.M., and Tomanek, D. Zipper Mechanism of Nanotube Fusion: Theory and Experiment. http:\/\/nanotube.msu.edu\/ntyjct\/."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1035","DOI":"10.1021\/ar0101640","article-title":"Carbon Nanotubes: Synthesis, Integration, and Properties","volume":"35","author":"Dai","year":"2002","journal-title":"Acc. Chem. Res."},{"key":"ref_14","unstructured":"HyperChem is a registered trademark of Hypercube, Inc. 1115 NW 4th Street, Gainesville, Florida 32601, USA."}],"container-title":["Algorithms"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1999-4893\/2\/1\/108\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T22:09:46Z","timestamp":1760220586000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1999-4893\/2\/1\/108"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,2,2]]},"references-count":14,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2009,3]]}},"alternative-id":["a2010108"],"URL":"https:\/\/doi.org\/10.3390\/a2010108","relation":{},"ISSN":["1999-4893"],"issn-type":[{"type":"electronic","value":"1999-4893"}],"subject":[],"published":{"date-parts":[[2009,2,2]]}}}