{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T21:54:19Z","timestamp":1777413259586,"version":"3.51.4"},"reference-count":65,"publisher":"American Chemical Society (ACS)","issue":"33","license":[{"start":{"date-parts":[[2024,8,12]],"date-time":"2024-08-12T00:00:00Z","timestamp":1723420800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["101071420-TACY-ERC-2022-SYG"],"award-info":[{"award-number":["101071420-TACY-ERC-2022-SYG"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["INST 40\/575-1 FUGG"],"award-info":[{"award-number":["INST 40\/575-1 FUGG"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2024,8,22]]},"DOI":"10.1021\/acs.jpca.4c02833","type":"journal-article","created":{"date-parts":[[2024,8,12]],"date-time":"2024-08-12T20:53:55Z","timestamp":1723496035000},"page":"6847-6852","source":"Crossref","is-referenced-by-count":10,"title":["Computational Studies of Dimerization of [<i>n<\/i>]-Cyclacenes"],"prefix":"10.1021","volume":"128","author":[{"given":"Ankit","family":"Somani","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Organische Chemie, Eberhard Karls Universit\u00e4t T\u00fcbingen, Auf der Morgenstelle 18, T\u00fcbingen 72076, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Divanshu","family":"Gupta","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Organische Chemie, Eberhard Karls Universit\u00e4t T\u00fcbingen, Auf der Morgenstelle 18, T\u00fcbingen 72076, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5223-662X","authenticated-orcid":true,"given":"Holger F.","family":"Bettinger","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Organische Chemie, Eberhard Karls Universit\u00e4t T\u00fcbingen, Auf der Morgenstelle 18, T\u00fcbingen 72076, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2024,8,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.theochem.2004.04.021"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ar9000179"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/hlca.19540370336"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP05504C"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-021-00671-9"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1007\/978-94-009-7197-4_4","volume-title":"Mobile Source Emissions Including Polycyclic Organic Species","author":"Clar E.","year":"1983"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2013.00022"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/b904087k"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.31635\/ccschem.020.202000287"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202012651"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.3390\/molecules26103047"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.31635\/ccschem.020.202000189"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ja00042a009"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198708921"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198809661"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ja00066a010"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4039(96)00264-X"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/0040-4039(96)00263-8"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/anie.198916801"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1099-0690(199801)1998:1<99::AID-EJOC99>3.0.CO;2-C"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1126\/science.aam8158"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.8b06842"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c00112"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201902784"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b13212"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-27809-0"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202003112"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ol0709376"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201209722"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ja106594v"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ol7023339"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1038\/srep37249"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b00123"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP00135A"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/B906882A"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/cr200107z"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.4867532"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.4974163"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/D2RA01632J"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-39524-4"},{"key":"ref41\/cit41","volume-title":"A chemist\u2019s guide to density functional theory","author":"Koch W.","year":"2015"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pc.34.100183.003215"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.30"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674902"},{"key":"ref49\/cit49","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H. Gaussian 16 Revision C. 01, 2016. Gaussian Inc.: Wallingford CT, 2016, 1, 572."},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990802)38:15<2256::AID-ANIE2256>3.0.CO;2-B"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2014.952696"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jp0765087"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1080\/10406639408014703"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-1280(98)00232-2"},{"issue":"3","key":"ref55\/cit55","first-page":"217","volume":"24","author":"T\u00fcrker L.","year":"2000","journal-title":"Turk. J. Chem."},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2860(96)09598-1"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/cr990357p"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ja9810437"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1039\/C7NJ04110A"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.6b00365"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200701837"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","unstructured":"Smith, P. J.; Liebman, J. F.; Hopf, H.; Star\u00fd, I.; Star\u00e1, I. G.; Halton, B. Strained Aromatic Molecules. In  Strained Hydrocarbons; Beyond the Van't Hoff and Le Bel Hypothesis; Wiley: 2009, pp 147\u2013204.","DOI":"10.1002\/9783527627134.ch4"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ol1006168"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202003045"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c02833","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c02833","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,22]],"date-time":"2024-08-22T21:09:39Z","timestamp":1724360979000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.4c02833"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,12]]},"references-count":65,"journal-issue":{"issue":"33","published-print":{"date-parts":[[2024,8,22]]}},"alternative-id":["10.1021\/acs.jpca.4c02833"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.4c02833","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,12]]}}}