{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T11:50:11Z","timestamp":1791287411146,"version":"4.1.0"},"reference-count":65,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2021,4,12]],"date-time":"2021-04-12T00:00:00Z","timestamp":1618185600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,4,12]],"date-time":"2021-04-12T00:00:00Z","timestamp":1618185600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,4,12]],"date-time":"2021-04-12T00:00:00Z","timestamp":1618185600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,4,26]]},"DOI":"10.1021\/acs.jcim.0c01430","type":"journal-article","created":{"date-parts":[[2021,4,15]],"date-time":"2021-04-15T06:28:00Z","timestamp":1618468080000},"page":"1825-1839","source":"Crossref","is-referenced-by-count":40,"title":["Substituent Effect on the Photophysics and ESIPT Mechanism of<i>N<\/i>,<i>N<\/i>\u2032-Bis(salicylidene)-<i>p<\/i>-phenylenediamine: A DFT\/TD-DFT Analysis"],"prefix":"10.1021","volume":"61","author":[{"given":"Neethinathan","family":"Johnee Britto","sequence":"first","affiliation":[{"name":"Department of Chemistry & Computational Chemistry Laboratory, Loyola Institute of Frontier Energy (LIFE), Loyola College (Autonomous), University of Madras, Chennai 600 034, Tamil Nadu, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Murugesan","family":"Panneerselvam","sequence":"additional","affiliation":[{"name":"Department of Chemistry & Computational Chemistry Laboratory, Loyola Institute of Frontier Energy (LIFE), Loyola College (Autonomous), University of Madras, Chennai 600 034, Tamil Nadu, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Madhu","family":"Deepan Kumar","sequence":"additional","affiliation":[{"name":"Department of Chemistry & Computational Chemistry Laboratory, Loyola Institute of Frontier Energy (LIFE), Loyola College (Autonomous), University of Madras, Chennai 600 034, Tamil Nadu, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6131-460X","authenticated-orcid":true,"given":"Arunkumar","family":"Kathiravan","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Avadi, Chennai 600 062, Tamil Nadu, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2632-4076","authenticated-orcid":true,"given":"Madhavan","family":"Jaccob","sequence":"additional","affiliation":[{"name":"Department of Chemistry & Computational Chemistry Laboratory, Loyola Institute of Frontier Energy (LIFE), Loyola College (Autonomous), University of Madras, Chennai 600 034, Tamil Nadu, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,4,12]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00595299"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1002\/9780470133408.ch5","volume-title":"Advances in Photochemistry","author":"Kl\u00f6pffer W.","year":"1977"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/f29868202379"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(96)00067-5"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/c0cs00224k"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/C5CS00543D"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ma100126n"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acsphotonics.0c00407"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/C8CS00185E"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.9b01908"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C9SC03040A"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201102046"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP03759D"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/cr940745l"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP02381A"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1039\/C3CS60271K"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC08217J"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/C5TC03411F"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.0c06741"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202007361"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/jp048415k"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.0c03490"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ar1000499"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/cr200177j"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/j100113a024"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ja047815i"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C6RA02417C"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp048512d"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jp047990l"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1039\/c2cp40869d"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1039\/C5RA23261A"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jp300340t"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/ja035382y"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.61.4207"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.2179800"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/jp0488012"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/la404436v"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1039\/C4RA10021B"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(02)01985-1"},{"key":"ref40\/cit40","first-page":"1644","volume":"48","author":"Kumari N.","year":"2009","journal-title":"Indian J. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.inoche.2004.04.013"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1007\/s00775-009-0485-9"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/S0254-0584(98)00236-3"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1364\/AO.7.001179"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/cr980068l"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(92)85145-Z"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/jp803850n"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2010.490796"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp21039d"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24300"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.4984062"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26213"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.478522"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00349-1"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030212"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/cr0505627"},{"key":"ref58\/cit58","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":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP04416C"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/jp8022919"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b03557"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/ja0482278"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.5b00423"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-016-1891-z"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00110D"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01430","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,11,2]],"date-time":"2023-11-02T03:54:44Z","timestamp":1698897284000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01430"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,4,12]]},"references-count":65,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2021,4,26]]}},"alternative-id":["10.1021\/acs.jcim.0c01430"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01430","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,4,12]]}}}