{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T17:47:20Z","timestamp":1777312040398,"version":"3.51.4"},"reference-count":47,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2019,12,12]],"date-time":"2019-12-12T00:00:00Z","timestamp":1576108800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100003407","name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","doi-asserted-by":"publisher","award":["FARB 2017"],"award-info":[{"award-number":["FARB 2017"]}],"id":[{"id":"10.13039\/501100003407","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003407","name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","doi-asserted-by":"publisher","award":["FABR 2018"],"award-info":[{"award-number":["FABR 2018"]}],"id":[{"id":"10.13039\/501100003407","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2020,1,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The magnetic response of a set of 20 molecules, their dications and their dianions has been studied by the NICS\u2010<jats:italic>XY<\/jats:italic> method, and the results have been compared with first principles current density maps. The molecules have been built from pentalene and <jats:italic>s<\/jats:italic>\u2010indacene by single and double annulation of cyclobutadiene, benzene and benzocyclobutadiene in an alternate fashion on both sides of the molecules. The prediction of tropicities obtained by the NICS\u2010<jats:italic>XY<\/jats:italic> method are overall consistent with the current density maps. A literal code, developed to give a compact description of the tropicities of currents flowing around rings and bonds cut by the scan trajectory shows that, in most cases, the NICS\u2010<jats:italic>XY<\/jats:italic> method leads to an exact match with the current density analyses. Mismatches are generally due to small circulations out of the scan trajectory, and they do not correspond to misinterpretations of the overall tropicities. The dataset provides several cases where the prediction of the overall antiaromatic\/aromatic response by the 4<jats:italic>n<\/jats:italic>\/4<jats:italic>n<\/jats:italic>+2 count of \u03c0 electrons fails.<\/jats:p>","DOI":"10.1002\/cphc.201900952","type":"journal-article","created":{"date-parts":[[2019,10,25]],"date-time":"2019-10-25T11:24:02Z","timestamp":1572002642000},"page":"65-82","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":41,"title":["NICS\u2010<i>XY<\/i>\u2010Scan Predictions of Local, Semi\u2010Global, and Global Ring Currents in Annulated Pentalene and s\u2010Indacene Cores Compared to First\u2010Principles Current Density Maps"],"prefix":"10.1002","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3217-4438","authenticated-orcid":false,"given":"Amnon","family":"Stanger","sequence":"first","affiliation":[{"name":"Schulich faculty of Chemistry Technion-Israel Institute of Technology  Haifa 32000 Israel"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Guglielmo","family":"Monaco","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Biologia \u201cA. Zambelli\u201d Universit\u00e0 degli Studi di Salerno  via Giovanni Paolo II 132 Fisciano 84084, SA Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Riccardo","family":"Zanasi","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Biologia \u201cA. Zambelli\u201d Universit\u00e0 degli Studi di Salerno  via Giovanni Paolo II 132 Fisciano 84084, SA Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2019,12,12]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/cm049614j"},{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1039\/C7CS00490G"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/admt.201900104"},{"key":"e_1_2_7_4_1","first-page":"10","author":"Fahlman M.","year":"2019","journal-title":"Nat. Rev. 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Sometimes (as demonstrated in the manuscript) small details which are observed at 1.0\u2005\u00c5 are not observed at 1.7\u2005\u00c5 but the general conclusions about the tropicities are identical."}],"container-title":["ChemPhysChem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.201900952","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/cphc.201900952","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.201900952","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T17:29:55Z","timestamp":1760376595000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cphc.201900952"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,12,12]]},"references-count":47,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2020,1,3]]}},"alternative-id":["10.1002\/cphc.201900952"],"URL":"https:\/\/doi.org\/10.1002\/cphc.201900952","archive":["Portico"],"relation":{},"ISSN":["1439-4235","1439-7641"],"issn-type":[{"value":"1439-4235","type":"print"},{"value":"1439-7641","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,12,12]]},"assertion":[{"value":"2019-09-30","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2019-12-12","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}