{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,11]],"date-time":"2026-01-11T00:58:45Z","timestamp":1768093125169,"version":"3.49.0"},"reference-count":35,"publisher":"American Chemical Society (ACS)","issue":"51","funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UID\/CEC\/00319\/2013"],"award-info":[{"award-number":["UID\/CEC\/00319\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2015,12,24]]},"DOI":"10.1021\/acs.jpca.5b09244","type":"journal-article","created":{"date-parts":[[2015,11,25]],"date-time":"2015-11-25T16:23:01Z","timestamp":1448468581000},"page":"12839-12844","source":"Crossref","is-referenced-by-count":9,"title":["Modeling Nanotube Caps: The Relationship Between Fullerenes and Caps"],"prefix":"10.1021","volume":"119","author":[{"given":"Manuel","family":"Melle-Franco","sequence":"first","affiliation":[{"name":"Centro\rALGORITMI, Department of Informatics, University of Minho, 4710-057, Braga, Portugal"}]},{"given":"Gunnar","family":"Brinkmann","sequence":"additional","affiliation":[{"name":"Applied\rMathematics and Computer Science, Ghent University, Krijgslaan\r281 S9, 9000 Ghent, Belgium"}]},{"given":"Francesco","family":"Zerbetto","sequence":"additional","affiliation":[{"name":"Dipartimento\rdi Chimica \u201cG. Ciamician\u201d, Universit\u00e0 di Bologna, V. F. Selmi 2, 40126 Bologna, Italy"}]}],"member":"316","published-online":{"date-parts":[[2015,12,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","DOI":"10.1142\/p080","volume-title":"Physical Properties of Carbon Nanotubes","author":"Saito R.","year":"1998","edition":"1"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1143\/JJAP.43.L427"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1063\/1.1446994"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.88.056804"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/nature13607"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.biomaterials.2011.06.011"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ja068516r"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp068491i"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2003.12.123"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ja0126879"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.72.165423"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jp8037158"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.carbon.2005.08.027"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/nl060154y"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ja063636k"},{"key":"ref16\/cit16","volume-title":"An Atlas of Fullerenes","author":"Fowler P. W.","year":"2007"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-218X(00)00328-0"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(99)01111-2"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/ja710625p"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ja039918r"},{"key":"ref21\/cit21","unstructured":"CaGe - Chemical & abstract Graph environment.http:\/\/www.mathematik.uni-bielefeld.de\/CaGe\/(accessed Oct 20, 2010) ."},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jp025657g"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/a901600g"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1996)58:2<185::AID-QUA7>3.3.CO;2-B"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jp070186p"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2005.06.105"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.88.094106"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/pssb.200982302"},{"key":"ref29\/cit29","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.;Gaussian 09, revision A.01;Gaussian, Inc.:Wallingford, CT, 2009."},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ja001109+"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jp9925132"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.1371500"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1080\/1536383X.2010.504951"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC01276G"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/jp0745900"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5b09244","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T01:10:23Z","timestamp":1681693823000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.5b09244"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,12,14]]},"references-count":35,"journal-issue":{"issue":"51","published-print":{"date-parts":[[2015,12,24]]}},"alternative-id":["10.1021\/acs.jpca.5b09244"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.5b09244","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,12,14]]}}}