{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T10:51:41Z","timestamp":1769943101574,"version":"3.49.0"},"reference-count":47,"publisher":"American Chemical Society (ACS)","issue":"26","funder":[{"DOI":"10.13039\/501100004837","name":"Ministerio de Ciencia e Innovaci?n","doi-asserted-by":"publisher","award":["FIS2013-48275-C2-1-P"],"award-info":[{"award-number":["FIS2013-48275-C2-1-P"]}],"id":[{"id":"10.13039\/501100004837","id-type":"DOI","asserted-by":"publisher"}]},{"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\/501100000921","name":"European Cooperation in Science and Technology","doi-asserted-by":"publisher","award":["CM1405"],"award-info":[{"award-number":["CM1405"]}],"id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004486","name":"Fondazione Cassa di Risparmio di Perugia","doi-asserted-by":"publisher","award":["2015. 0331.021"],"award-info":[{"award-number":["2015. 0331.021"]}],"id":[{"id":"10.13039\/501100004486","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["007630 UID\/QUI\/00313\/2013"],"award-info":[{"award-number":["007630 UID\/QUI\/00313\/2013"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Dipartimento di Chimica, Biologia e Biotecnologie, Universit? degli Studi di Perugia"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. C"],"published-print":{"date-parts":[[2017,7,6]]},"DOI":"10.1021\/acs.jpcc.7b03691","type":"journal-article","created":{"date-parts":[[2017,6,13]],"date-time":"2017-06-13T20:28:55Z","timestamp":1497385735000},"page":"14330-14338","source":"Crossref","is-referenced-by-count":32,"title":["Modeling Coronene Nanostructures: Analytical Potential, Stable Configurations and Ab Initio Energies"],"prefix":"10.1021","volume":"121","author":[{"given":"M.","family":"Bartolomei","sequence":"first","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas (IFF-CSIC), Serrano 123, 28006 Madrid, Spain"}]},{"given":"F.","family":"Pirani","sequence":"additional","affiliation":[{"name":"Dipartimento\rdi Chimica, Biologia e Biotecnologie, Universit\u00e0 di Perugia, 06123 Perugia, Italy"},{"name":"Istituto di Nanotecnologia (CNR NANOTEC), 70126 Bari, Italy"}]},{"given":"J. M. C.","family":"Marques","sequence":"additional","affiliation":[{"name":"CQC,\rDepartment of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2017,6,23]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1051\/0004-6361:20065412"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-2180(99)00032-2"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/jp401635t"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.carbon.2015.08.118"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1063\/1.4936414"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b01926"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/jr9450000607"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24201"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.3300064"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ja303676q"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jp046745z"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP00592F"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jp1117695"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00065-7"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/ci970283n"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ci600336p"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/0097-8485(77)85007-9"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jp302136u"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.comptc.2013.06.043"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.476310"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.478752"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2005.06.090"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.03.049"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jp405295b"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.462569"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/j100096a001"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ct200866d"},{"key":"ref32\/cit32","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.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Keith, T.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, \u00d6.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J.Gaussian 09, revisionGaussian, Inc.:Wallingford, CT, 2009."},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.06.100"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2009-00215-5"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1039\/b808524b"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23161"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/jp0450078"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/jp105763h"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1098\/rsta.2016.0198"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1090\/S0025-5718-1980-0572855-7"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1007\/BF01589116"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1162\/106365601750190406"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.446263"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.comptc.2013.06.029"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms11555"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ci100219f"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"}],"container-title":["The Journal of Physical Chemistry C"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcc.7b03691","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T17:33:44Z","timestamp":1681666424000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcc.7b03691"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,6,23]]},"references-count":47,"journal-issue":{"issue":"26","published-print":{"date-parts":[[2017,7,6]]}},"alternative-id":["10.1021\/acs.jpcc.7b03691"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcc.7b03691","relation":{},"ISSN":["1932-7447","1932-7455"],"issn-type":[{"value":"1932-7447","type":"print"},{"value":"1932-7455","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,6,23]]}}}