{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T02:19:26Z","timestamp":1777429166309,"version":"3.51.4"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2018,3,15]]},"DOI":"10.1021\/acs.jpca.8b00414","type":"journal-article","created":{"date-parts":[[2018,2,20]],"date-time":"2018-02-20T15:41:40Z","timestamp":1519141300000},"page":"2809-2815","source":"Crossref","is-referenced-by-count":21,"title":["Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes"],"prefix":"10.1021","volume":"122","author":[{"given":"Bruna C.","family":"De Simone","sequence":"first","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universit\u00e0 della Calabria, 87036 Rende, Cosenza, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4686-6876","authenticated-orcid":true,"given":"Gloria","family":"Mazzone","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universit\u00e0 della Calabria, 87036 Rende, Cosenza, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3826-3386","authenticated-orcid":true,"given":"Nino","family":"Russo","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universit\u00e0 della Calabria, 87036 Rende, Cosenza, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5952-9927","authenticated-orcid":true,"given":"Emilia","family":"Sicilia","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universit\u00e0 della Calabria, 87036 Rende, Cosenza, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marirosa","family":"Toscano","sequence":"additional","affiliation":[{"name":"Dipartimento di Chimica e Tecnologie Chimiche, Universit\u00e0 della Calabria, 87036 Rende, Cosenza, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2018,2,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1700516"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1039\/df9500900014"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ar50001a002"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1093\/jnci\/90.12.889"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/C5PP00132C"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S1470-2045(04)01529-3"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/nrc1894"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2016.06.007"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP07874E"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP03833B"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.dyepig.2015.04.032"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.3390\/molecules21030288"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00486"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.dyepig.2016.02.021"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23725"},{"key":"ref16\/cit16","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 D.01; Gaussian, Inc: Wallingford, CT, 2009."},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/BF01114537"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.480808"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/cr9904009"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/S0301-0104(02)00485-8"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/f19807601978"},{"key":"ref23\/cit23","unstructured":"Helgaker, T.; J\u00f8rgensen, P.; Olsen, J.; Ruud, K.; Andersen, T.; Bak, K. L.; Bakken, V.; Christiansen, O.; Dahle, P.; Dalskov, E. K.  Dalton, an Ab Initio Electronic Structure Program, version 1.0, 1997 (http:\/\/daltonprogram.org)."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp983453n"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(99)00712-5"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp065887l"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.83"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/cr040084k"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jp020053y"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.3390\/molecules22071093"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/b516042a"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp52698d"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.8b00414","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,14]],"date-time":"2023-04-14T04:46:01Z","timestamp":1681447561000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.8b00414"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,2,19]]},"references-count":34,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2018,3,15]]}},"alternative-id":["10.1021\/acs.jpca.8b00414"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.8b00414","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,2,19]]}}}