{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,2]],"date-time":"2025-11-02T20:00:25Z","timestamp":1762113625842,"version":"3.37.3"},"reference-count":47,"publisher":"American Chemical Society (ACS)","issue":"4","funder":[{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100005300","name":"American Chemical Society","doi-asserted-by":"publisher","award":["AR3LU4KRDCS00GI8E0B4"],"award-info":[{"award-number":["AR3LU4KRDCS00GI8E0B4"]}],"id":[{"id":"10.13039\/100005300","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["PEST-C\/EQB\/LA0006\/2013\/37285"],"award-info":[{"award-number":["PEST-C\/EQB\/LA0006\/2013\/37285"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. C"],"published-print":{"date-parts":[[2017,2,2]]},"DOI":"10.1021\/acs.jpcc.6b08466","type":"journal-article","created":{"date-parts":[[2017,1,9]],"date-time":"2017-01-09T21:28:05Z","timestamp":1483997285000},"page":"2165-2172","source":"Crossref","is-referenced-by-count":11,"title":["The Inner Cavity of a Carbon Nanotube as a Chemical Reactor: Effect of Geometry on the Catalysis of a Menshutkin S<sub>N<\/sub>2 Reaction"],"prefix":"10.1021","volume":"121","author":[{"given":"I. S.","family":"Tavares","sequence":"first","affiliation":[{"name":"UCIBIO\/Requimte, Departamento\rde Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, s\/n, Porto 4169-007, Portugal"}]},{"given":"C. F. B. R.","family":"Figueiredo","sequence":"additional","affiliation":[{"name":"UCIBIO\/Requimte, Departamento\rde Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, s\/n, Porto 4169-007, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1162-2089","authenticated-orcid":true,"given":"A. L.","family":"Magalh\u00e3es","sequence":"additional","affiliation":[{"name":"UCIBIO\/Requimte, Departamento\rde Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, s\/n, Porto 4169-007, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2017,1,20]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1039\/b905015a"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-009-2672-5"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1038\/nnano.2008.66","volume":"3","author":"Fleming C.","year":"2008","journal-title":"Nat. Nanotechnol."},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.5b00475"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.micromeso.2016.03.003"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/C3NR05433K"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","DOI":"10.1201\/b18086","volume-title":"Carbon Nanotubes Theoretical Concepts And Research Strategies For Engineers","author":"Haghi A. K.","year":"2015"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/nn204596p"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/cr300367d"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C4CC06964A"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1166\/jnn.2007.307"},{"volume-title":"Computational Physics of Carbon Nanotubes","year":"2008","author":"Rafii-Tabar H.","key":"ref12\/cit12"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.200301049"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.physb.2013.02.025"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1126\/science.1060928"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2006.52"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jp0137165"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/jp412456q"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.1431590"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp54295e"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-011-1024-7"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/nl050722u"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2009.11.009"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-009-0586-0"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jp3112292"},{"key":"ref26\/cit26","first-page":"589","volume":"5","author":"Menshutkin N. Z.","year":"1890","journal-title":"Phys. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ja983736t"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/1.471688"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-014-2353-y"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.200700626"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.1580803"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(01)01131-9"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/jp0108364"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1007\/s002140050487"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/jp9803945"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.474538"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ja00020a070"},{"key":"ref38\/cit38","unstructured":"Frey, J. T.; Doren, D. J.TubeGen 3.4;University of Delaware:Newark DE, 2011, (URL:http:\/\/turin.nss.udel.edu\/research\/tubegenonline.html; accessible in August 2016)."},{"key":"ref39\/cit39","unstructured":"Dennington, R.; Keith, T.; Millam, J.GaussView, Version 5;Semichem Inc.:Shawnee Mission, KS, 2009."},{"key":"ref40\/cit40","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.; et al.Gaussian 09, revision D.01;Gaussian, Inc.:Wallingford, CT, 2009."},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ja00523a008"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674902"},{"volume-title":"Thermochemical Data and Structures of Organic Compounds","year":"1994","author":"Pedley J. B.","key":"ref44\/cit44"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/ijch.199300051"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ja01607a027"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.67.121406"}],"container-title":["The Journal of Physical Chemistry C"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcc.6b08466","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T05:23:17Z","timestamp":1681536197000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcc.6b08466"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,1,20]]},"references-count":47,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2017,2,2]]}},"alternative-id":["10.1021\/acs.jpcc.6b08466"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcc.6b08466","relation":{},"ISSN":["1932-7447","1932-7455"],"issn-type":[{"type":"print","value":"1932-7447"},{"type":"electronic","value":"1932-7455"}],"subject":[],"published":{"date-parts":[[2017,1,20]]}}}