{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T19:23:15Z","timestamp":1783538595024,"version":"3.55.0"},"reference-count":136,"publisher":"Royal Society of Chemistry (RSC)","issue":"14","license":[{"start":{"date-parts":[[2026,2,10]],"date-time":"2026-02-10T00:00:00Z","timestamp":1770681600000},"content-version":"vor","delay-in-days":40,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100000288","name":"Royal Society","doi-asserted-by":"publisher","award":["IES\\R2\\222057"],"award-info":[{"award-number":["IES\\R2\\222057"]}],"id":[{"id":"10.13039\/501100000288","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/L000202\/1"],"award-info":[{"award-number":["EP\/L000202\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/T022213\/1"],"award-info":[{"award-number":["EP\/T022213\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22303053"],"award-info":[{"award-number":["22303053"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Chem. Sci."],"abstract":"<jats:p>This work demonstrates that push\u2013pull norbornadiene photoswitches are promissing crystalline molecular solar thermal materials and establishes a transferable computational protocol for modelling ultrafast photochemistry in the solid state.<\/jats:p>","DOI":"10.1039\/d5sc07670f","type":"journal-article","created":{"date-parts":[[2026,2,10]],"date-time":"2026-02-10T08:40:54Z","timestamp":1770712854000},"page":"7157-7170","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Understanding the photochemistry of a crystalline push\u2013pull norbornadiene photoswitch"],"prefix":"10.1039","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7497-9424","authenticated-orcid":false,"given":"Federico J.","family":"Hern\u00e1ndez","sequence":"first","affiliation":[{"name":"Department of Chemistry, Queen Mary University of London, Mile End Road, London E1 4NS, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jordan M.","family":"Cox","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA 02115, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4743-0318","authenticated-orcid":false,"given":"Jingbai","family":"Li","sequence":"additional","affiliation":[{"name":"Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic University, 7098 Liuxian Blvd, Nanshan District, Shenzhen, 518055, People's Republic of China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8418-3638","authenticated-orcid":false,"given":"Steven","family":"Lopez","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA 02115, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8725-5350","authenticated-orcid":false,"given":"Rachel","family":"Crespo-Otero","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University College London, London WC1 H0AJ, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"issue":"12","key":"D5SC07670F\/cit1\/1","doi-asserted-by":"crossref","first-page":"3116","DOI":"10.1016\/j.joule.2021.11.001","volume":"5","author":"Wang","year":"2021","journal-title":"Joule"},{"key":"D5SC07670F\/cit2\/1","doi-asserted-by":"crossref","first-page":"7313","DOI":"10.1039\/D1CS00890K","volume":"51","author":"Wang","year":"2022","journal-title":"Chem. Soc. Rev."},{"key":"D5SC07670F\/cit3\/1","doi-asserted-by":"crossref","first-page":"17273","DOI":"10.1039\/D4SC05723F","volume":"15","author":"Raju","year":"2024","journal-title":"Chem. Sci."},{"key":"D5SC07670F\/cit4\/1","doi-asserted-by":"crossref","first-page":"3309","DOI":"10.1016\/j.chempr.2024.06.033","volume":"11","author":"Chakraborty","year":"2024","journal-title":"Chem"},{"key":"D5SC07670F\/cit5\/1","first-page":"26678","volume":"12","author":"Raju","year":"2024","journal-title":"Chem. A."},{"key":"D5SC07670F\/cit6\/1","doi-asserted-by":"crossref","first-page":"4057","DOI":"10.1039\/D2NJ00755J","volume":"46","author":"Griffiths","year":"2022","journal-title":"New J. Chem."},{"key":"D5SC07670F\/cit7\/1","doi-asserted-by":"crossref","first-page":"2378","DOI":"10.1016\/j.chempr.2023.05.029","author":"Li","year":"2023","journal-title":"Chem"},{"key":"D5SC07670F\/cit8\/1","doi-asserted-by":"crossref","first-page":"3159","DOI":"10.1016\/j.chempr.2023.06.007","author":"Cho","year":"2023","journal-title":"Chem"},{"issue":"22","key":"D5SC07670F\/cit9\/1","doi-asserted-by":"crossref","first-page":"19430","DOI":"10.1021\/jacs.2c07537","volume":"144","author":"Conzalez","year":"2022","journal-title":"J. Am. Chem. Soc."},{"key":"D5SC07670F\/cit10\/1","first-page":"e202514349","author":"Hern\u00e1ez-Troya","year":"2025","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5SC07670F\/cit11\/1","doi-asserted-by":"crossref","first-page":"8688","DOI":"10.1021\/jacs.0c00374","volume":"142","author":"Gerkman","year":"2020","journal-title":"J. Am. Chem. Soc."},{"issue":"23","key":"D5SC07670F\/cit12\/1","doi-asserted-by":"crossref","first-page":"9925","DOI":"10.1021\/acs.chemmater.0c02708","volume":"32","author":"Griffiths","year":"2020","journal-title":"Chem. Mater."},{"key":"D5SC07670F\/cit13\/1","doi-asserted-by":"crossref","first-page":"3014","DOI":"10.1039\/D2SC00632D","volume":"13","author":"Griffiths","year":"2022","journal-title":"Chem. Sci."},{"issue":"10","key":"D5SC07670F\/cit14\/1","doi-asserted-by":"crossref","first-page":"7044","DOI":"10.1021\/acs.cgd.2c01384","volume":"23","author":"Griffiths","year":"2023","journal-title":"Cryst. Growth Des."},{"key":"D5SC07670F\/cit15\/1","doi-asserted-by":"crossref","first-page":"1478","DOI":"10.1021\/acs.accounts.0c00235","volume":"53","author":"Orrego-Hernandez","year":"2020","journal-title":"Acc. Chem. Res."},{"key":"D5SC07670F\/cit16\/1","doi-asserted-by":"crossref","first-page":"917","DOI":"10.1070\/RC2002v071n11ABEH000745","volume":"71","author":"Dubonosov","year":"2002","journal-title":"Russ. Chem. Rev."},{"key":"D5SC07670F\/cit17\/1","doi-asserted-by":"crossref","first-page":"19496","DOI":"10.1021\/acssuschemeng.9b04503","volume":"7","author":"Nucci","year":"2019","journal-title":"ACS Sustainable Chem. Eng."},{"issue":"48","key":"D5SC07670F\/cit18\/1","doi-asserted-by":"crossref","first-page":"10330","DOI":"10.1021\/acs.jpca.1c07737","volume":"125","author":"Hillers-Bendtsen","year":"2021","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit19\/1","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1039\/jr9640000365","author":"Frey","year":"1964","journal-title":"J. Chem. Soc."},{"issue":"1","key":"D5SC07670F\/cit20\/1","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1039\/b107442c","volume":"1","author":"Fu\u00df","year":"2002","journal-title":"Photochem. Photobiol. Sci."},{"issue":"7","key":"D5SC07670F\/cit21\/1","doi-asserted-by":"crossref","first-page":"3635","DOI":"10.1021\/acs.jpcc.5b11489","volume":"120","author":"Kuisma","year":"2016","journal-title":"J Phys Chem C Nanomater Interfaces"},{"issue":"13","key":"D5SC07670F\/cit22\/1","doi-asserted-by":"crossref","first-page":"5927","DOI":"10.1021\/ja00092a049","volume":"116","author":"Roos","year":"2002","journal-title":"J. Am. Chem. Soc."},{"issue":"34","key":"D5SC07670F\/cit23\/1","doi-asserted-by":"crossref","first-page":"8302","DOI":"10.1021\/j100085a007","volume":"98","author":"Xing","year":"1994","journal-title":"J. Phys. Chem."},{"key":"D5SC07670F\/cit24\/1","doi-asserted-by":"crossref","first-page":"1439","DOI":"10.1002\/jcc.23270","volume":"34","author":"Antol","year":"2013","journal-title":"J. Comput. Chem."},{"key":"D5SC07670F\/cit25\/1","doi-asserted-by":"crossref","first-page":"22302","DOI":"10.1039\/D0CP03435E","volume":"22","author":"Valentini","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit26\/1","doi-asserted-by":"crossref","first-page":"5311","DOI":"10.1021\/acs.joc.2c02758","volume":"88","author":"Hern\u00e1ndez","year":"2023","journal-title":"J. Org. Chem."},{"key":"D5SC07670F\/cit27\/1","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1038\/s41557-023-01420-w","volume":"16","author":"Borne","year":"2024","journal-title":"Nat. Chem."},{"key":"D5SC07670F\/cit28\/1","doi-asserted-by":"crossref","first-page":"094102","DOI":"10.1063\/5.0246270","volume":"162","author":"Cooper","year":"2025","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit29\/1","doi-asserted-by":"crossref","first-page":"3089","DOI":"10.1039\/D4CP03960B","volume":"27","author":"Cooper","year":"2025","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit30\/1","first-page":"427","volume":"21","author":"Apell","year":"2019","journal-title":"Environ. Sci.: Processes Impacts"},{"key":"D5SC07670F\/cit31\/1","doi-asserted-by":"crossref","first-page":"e202201483","DOI":"10.1002\/cssc.202201483","volume":"15","author":"Franz","year":"2022","journal-title":"ChemSusChem"},{"key":"D5SC07670F\/cit32\/1","doi-asserted-by":"crossref","first-page":"13265","DOI":"10.1002\/chem.201602530","volume":"22","author":"Quant","year":"2016","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit33\/1","doi-asserted-by":"crossref","first-page":"1945","DOI":"10.1038\/s41467-018-04230-8","volume":"9","author":"Mans\u00f8","year":"2018","journal-title":"Nat. Commun."},{"key":"D5SC07670F\/cit34\/1","doi-asserted-by":"crossref","first-page":"5585","DOI":"10.1039\/C8OB01470A","volume":"16","author":"Mans\u00f8","year":"2018","journal-title":"Org. Biomol. Chem."},{"key":"D5SC07670F\/cit35\/1","doi-asserted-by":"crossref","first-page":"12767","DOI":"10.1002\/chem.201802932","volume":"24","author":"Jevric","year":"2018","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit36\/1","doi-asserted-by":"crossref","first-page":"7081","DOI":"10.1021\/acs.jpcc.9b02111","volume":"123","author":"Quant","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"D5SC07670F\/cit37\/1","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1039\/C8EE01011K","volume":"12","author":"Wang","year":"2019","journal-title":"Energy Environ. Sci."},{"key":"D5SC07670F\/cit38\/1","doi-asserted-by":"crossref","first-page":"5337","DOI":"10.1002\/ejoc.202100795","author":"Orrego-Hern\u00e1ndez","year":"2021","journal-title":"Eur. J. Org Chem."},{"key":"D5SC07670F\/cit39\/1","doi-asserted-by":"crossref","first-page":"2602","DOI":"10.1021\/acs.jpca.4c00045","volume":"128","author":"Hillers-Bendtsen","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit40\/1","doi-asserted-by":"crossref","first-page":"e202401391","DOI":"10.1002\/chem.202401391","volume":"30","author":"Krappmann","year":"2024","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit41\/1","doi-asserted-by":"crossref","first-page":"e202400482","DOI":"10.1002\/chem.202400482","volume":"30","author":"Weber","year":"2024","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit42\/1","doi-asserted-by":"crossref","first-page":"547","DOI":"10.1146\/annurev-physchem-102822-100945","volume":"74","author":"Hern\u00e1ndez","year":"2023","journal-title":"Ann. Rev. Phys. Chem."},{"key":"D5SC07670F\/cit43\/1","doi-asserted-by":"crossref","first-page":"8293","DOI":"10.1039\/D3CP00247K","volume":"25","author":"Toldo","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"18","key":"D5SC07670F\/cit44\/1","doi-asserted-by":"crossref","first-page":"5402","DOI":"10.1021\/jp109522g","volume":"115","author":"Nelson","year":"2011","journal-title":"Phys. Chem. B"},{"issue":"8","key":"D5SC07670F\/cit45\/1","doi-asserted-by":"crossref","first-page":"3955","DOI":"10.1021\/acs.jctc.8b00103","volume":"14","author":"Sifain","year":"2018","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit46\/1","doi-asserted-by":"crossref","first-page":"e202203291","DOI":"10.1002\/chem.202203291","volume":"29","author":"Morimoto","year":"2023","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit47\/1","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1021\/acs.accounts.1c00675","volume":"55","author":"Giannini","year":"2022","journal-title":"Acc. Chem. Res."},{"key":"D5SC07670F\/cit48\/1","doi-asserted-by":"crossref","first-page":"1054","DOI":"10.1039\/C9TC05270D","volume":"8","author":"Ziogos","year":"2020","journal-title":"J. Mater. Chem. C"},{"key":"D5SC07670F\/cit49\/1","doi-asserted-by":"crossref","first-page":"2755","DOI":"10.1038\/s41467-022-30308-5","volume":"13","author":"Giannini","year":"2022","journal-title":"Nat. Comm."},{"key":"D5SC07670F\/cit50\/1","doi-asserted-by":"crossref","first-page":"184116","DOI":"10.1063\/5.0028605","volume":"153","author":"Li","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit51\/1","doi-asserted-by":"crossref","first-page":"eabb0052","DOI":"10.1126\/sciadv.abb0052","volume":"6","author":"Duan","year":"2020","journal-title":"Sci. Adv."},{"issue":"19","key":"D5SC07670F\/cit52\/1","doi-asserted-by":"crossref","first-page":"8437","DOI":"10.1021\/acs.jctc.4c00886","volume":"20","author":"Sangiogo Gil","year":"2024","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit53\/1","doi-asserted-by":"crossref","first-page":"5068","DOI":"10.1021\/acs.jctc.5b00719","volume":"11","author":"Heck","year":"2015","journal-title":"J. Chem. Theory Comput."},{"issue":"15","key":"D5SC07670F\/cit54\/1","doi-asserted-by":"crossref","first-page":"7026","DOI":"10.1021\/acs.chemrev.7b00577","volume":"118","author":"Crespo-Otero","year":"2018","journal-title":"Chem. Rev."},{"issue":"11","key":"D5SC07670F\/cit55\/1","doi-asserted-by":"crossref","first-page":"4959","DOI":"10.1021\/ct400641n","volume":"9","author":"Akimov","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit56\/1","doi-asserted-by":"crossref","first-page":"5157","DOI":"10.1021\/acs.jctc.2c00297","volume":"18","author":"Shakiba","year":"2022","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit57\/1","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1021\/ct400934c","volume":"10","author":"Akimov","year":"2014","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit58\/1","first-page":"e1411","volume":"9","author":"Zheng","year":"2019","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5SC07670F\/cit59\/1","doi-asserted-by":"crossref","first-page":"224105","DOI":"10.1063\/1.4936864","volume":"143","author":"Franco de Carvalho","year":"2015","journal-title":"J. Chem. Phys."},{"issue":"7","key":"D5SC07670F\/cit60\/1","doi-asserted-by":"crossref","first-page":"4071","DOI":"10.1021\/acs.jctc.0c00372","volume":"16","author":"Mali\u0161","year":"2020","journal-title":"J. Chem. Theory Comput."},{"issue":"20","key":"D5SC07670F\/cit61\/1","doi-asserted-by":"crossref","first-page":"10474","DOI":"10.1021\/acs.jctc.5c01082","volume":"21","author":"Vogt","year":"2025","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit62\/1","doi-asserted-by":"crossref","first-page":"1194","DOI":"10.1038\/s41467-025-56480-y","volume":"16","author":"Li","year":"2025","journal-title":"Nat. Commun."},{"key":"D5SC07670F\/cit63\/1","doi-asserted-by":"crossref","first-page":"2295","DOI":"10.1016\/j.chempr.2024.04.017","volume":"10","author":"Wang","year":"2024","journal-title":"Chem"},{"issue":"15","key":"D5SC07670F\/cit64\/1","doi-asserted-by":"crossref","first-page":"2893","DOI":"10.1021\/acs.jpclett.6b01156","volume":"7","author":"Ma","year":"2016","journal-title":"Phys. Chem. Lett."},{"key":"D5SC07670F\/cit65\/1","doi-asserted-by":"crossref","first-page":"e70013","DOI":"10.1002\/agt2.70013","volume":"6","author":"Shuai","year":"2025","journal-title":"Aggregate"},{"key":"D5SC07670F\/cit66\/1","doi-asserted-by":"crossref","first-page":"745","DOI":"10.1021\/jp910103b","volume":"114","author":"B\u00f6ckmann","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit67\/1","doi-asserted-by":"crossref","first-page":"084108","DOI":"10.1063\/1.4818489","volume":"139","author":"B\u00f6ckmann","year":"2013","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit68\/1","doi-asserted-by":"crossref","first-page":"10803","DOI":"10.1039\/c3cp51263k","volume":"15","author":"Kochman","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit69\/1","doi-asserted-by":"crossref","first-page":"1182","DOI":"10.1021\/ct3008149","volume":"9","author":"Kochman","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit70\/1","doi-asserted-by":"crossref","first-page":"4657","DOI":"10.1063\/1.467455","volume":"101","author":"Hammes-Schiffer","year":"1994","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit71\/1","doi-asserted-by":"crossref","first-page":"1061","DOI":"10.1063\/1.459170","volume":"93","author":"Tully","year":"1990","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit72\/1","doi-asserted-by":"crossref","first-page":"4027","DOI":"10.1021\/acs.jpclett.6b02018","volume":"7","author":"Cantatore","year":"2016","journal-title":"J. Phys. Chem. Lett."},{"key":"D5SC07670F\/cit73\/1","doi-asserted-by":"crossref","first-page":"3591","DOI":"10.1021\/acs.jpclett.6b01401","volume":"7","author":"Titov","year":"2016","journal-title":"J. Phys. Chem. Lett."},{"issue":"21","key":"D5SC07670F\/cit74\/1","doi-asserted-by":"crossref","first-page":"5246","DOI":"10.1021\/acs.jpcb.4c00778","volume":"128","author":"Frassi","year":"2024","journal-title":"J. Phys. Chem. B"},{"issue":"1","key":"D5SC07670F\/cit75\/1","doi-asserted-by":"crossref","first-page":"385","DOI":"10.1021\/acs.jpcb.4c06924","volume":"129","author":"Gallmetzer","year":"2025","journal-title":"J. Phys. Chem. B"},{"key":"D5SC07670F\/cit76\/1","doi-asserted-by":"crossref","first-page":"6851","DOI":"10.1021\/acs.jctc.2c00804","volume":"18","author":"Barbatti","year":"2022","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit77\/1","doi-asserted-by":"crossref","first-page":"6139","DOI":"10.1021\/acs.jctc.8b00763","volume":"14","author":"Menger","year":"2018","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit78\/1","doi-asserted-by":"crossref","first-page":"2504","DOI":"10.1021\/acs.jctc.8b01180","volume":"15","author":"Rivera","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit79\/1","doi-asserted-by":"crossref","first-page":"1045","DOI":"10.1002\/jcc.26144","volume":"41","author":"Rivera","year":"2020","journal-title":"J. Comput. Chem."},{"issue":"15","key":"D5SC07670F\/cit80\/1","doi-asserted-by":"crossref","first-page":"7576","DOI":"10.1021\/acs.jctc.5c00539","volume":"21","author":"Ingham","year":"2025","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit81\/1","doi-asserted-by":"crossref","first-page":"5302","DOI":"10.1039\/D0SC05610C","volume":"12","author":"Li","year":"2021","journal-title":"Chem. Sci."},{"key":"D5SC07670F\/cit82\/1","first-page":"5302","volume":"12","author":"Li","year":"2022","journal-title":"Acc. Chem. Res."},{"key":"D5SC07670F\/cit83\/1","doi-asserted-by":"crossref","first-page":"e202201483","DOI":"10.1002\/cssc.202201483","volume":"15","author":"Franz","year":"2022","journal-title":"ChemSusChem"},{"key":"D5SC07670F\/cit84\/1","doi-asserted-by":"crossref","first-page":"13265","DOI":"10.1002\/chem.201602530","volume":"22","author":"Quant","year":"2016","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit85\/1","doi-asserted-by":"crossref","first-page":"1945","DOI":"10.1038\/s41467-018-04230-8","volume":"9","author":"Mans\u00f8","year":"2018","journal-title":"Nat. Commun."},{"key":"D5SC07670F\/cit86\/1","doi-asserted-by":"crossref","first-page":"5585","DOI":"10.1039\/C8OB01470A","volume":"16","author":"Mans\u00f8","year":"2018","journal-title":"Org. Biomol. Chem."},{"key":"D5SC07670F\/cit87\/1","doi-asserted-by":"crossref","first-page":"12767","DOI":"10.1002\/chem.201802932","volume":"24","author":"Jevric","year":"2018","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit88\/1","doi-asserted-by":"crossref","first-page":"7081","DOI":"10.1021\/acs.jpcc.9b02111","volume":"123","author":"Quant","year":"2019","journal-title":"J. Phys. Chem. C"},{"key":"D5SC07670F\/cit89\/1","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1039\/C8EE01011K","volume":"12","author":"Wang","year":"2019","journal-title":"Energy Environ. Sci."},{"key":"D5SC07670F\/cit90\/1","doi-asserted-by":"crossref","first-page":"5337","DOI":"10.1002\/ejoc.202100795","author":"Orrego-Hern\u00e1ndez","year":"2021","journal-title":"Eur. J. Org Chem."},{"key":"D5SC07670F\/cit91\/1","doi-asserted-by":"crossref","first-page":"2602","DOI":"10.1021\/acs.jpca.4c00045","volume":"128","author":"Hillers-Bendtsen","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit92\/1","doi-asserted-by":"crossref","first-page":"e202401391","DOI":"10.1002\/chem.202401391","volume":"30","author":"Krappmann","year":"2024","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit93\/1","doi-asserted-by":"crossref","first-page":"e202400482","DOI":"10.1002\/chem.202400482","volume":"30","author":"Weber","year":"2024","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit94\/1","doi-asserted-by":"crossref","first-page":"2507162","DOI":"10.1002\/adfm.202507162","volume":"35","author":"Tian","year":"2025","journal-title":"Adv. Funct. Mater."},{"key":"D5SC07670F\/cit95\/1","doi-asserted-by":"crossref","first-page":"18179","DOI":"10.1039\/D4SC04247F","volume":"15","author":"Fei","year":"2024","journal-title":"Chem. Sci."},{"key":"D5SC07670F\/cit96\/1","doi-asserted-by":"crossref","first-page":"4315","DOI":"10.1021\/acs.jpclett.5c00634","volume":"16","author":"Kochman","year":"2025","journal-title":"J. Phys. Chem. Lett."},{"issue":"6","key":"D5SC07670F\/cit97\/1","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.1007\/s00214-012-1237-4","volume":"131","author":"Crespo-Otero","year":"2012","journal-title":"Theor. Chem. Acc."},{"key":"D5SC07670F\/cit98\/1","doi-asserted-by":"crossref","first-page":"7023","DOI":"10.1021\/acs.jpca.5c02171","volume":"129","author":"Cigrang","year":"2025","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit99\/1","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1021\/acs.accounts.4c00687","volume":"58","author":"Jano\u0161","year":"2025","journal-title":"Acc. Chem. Res."},{"key":"D5SC07670F\/cit100\/1","doi-asserted-by":"crossref","first-page":"901","DOI":"10.1021\/j100288a027","volume":"91","author":"Harel","year":"1987","journal-title":"J. Phys. Chem."},{"key":"D5SC07670F\/cit101\/1","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/0047-2670(85)87059-3","volume":"29","author":"Yoshida","year":"1985","journal-title":"J. Photochem."},{"key":"D5SC07670F\/cit102\/1","doi-asserted-by":"crossref","first-page":"6615","DOI":"10.1039\/b810189b","volume":"10","author":"Chai","year":"2008","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit103\/1","doi-asserted-by":"crossref","first-page":"6796","DOI":"10.1063\/1.462569","volume":"96","author":"Kendall","year":"1992","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit104\/1","doi-asserted-by":"crossref","first-page":"17850","DOI":"10.1039\/D5CC04069H","volume":"61","author":"Hern\u00e1ndez","year":"2025","journal-title":"Chem. Commun."},{"key":"D5SC07670F\/cit105\/1","doi-asserted-by":"crossref","first-page":"2316","DOI":"10.1002\/adfm.201503888","volume":"26","author":"Arag\u00f3","year":"2016","journal-title":"Adv. Funct Matter."},{"key":"D5SC07670F\/cit106\/1","doi-asserted-by":"crossref","first-page":"11882","DOI":"10.1039\/D1TC02019F","volume":"9","author":"Hern\u00e1ndez","year":"2021","journal-title":"J. Mater. Chem. C"},{"key":"D5SC07670F\/cit107\/1","doi-asserted-by":"crossref","first-page":"27083","DOI":"10.1039\/D3CP03234E","volume":"25","author":"Mansour","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit108\/1","doi-asserted-by":"crossref","first-page":"e202400322","DOI":"10.1002\/chem.202400322","volume":"30","author":"Ghasemi","year":"2024","journal-title":"Chem. Eur J."},{"key":"D5SC07670F\/cit109\/1","doi-asserted-by":"crossref","first-page":"e16629","DOI":"10.1002\/anie.202516629","volume":"65","author":"Salthouse","year":"2026","journal-title":"Angew. Chem., Int. Ed."},{"key":"D5SC07670F\/cit110\/1","doi-asserted-by":"crossref","first-page":"1500","DOI":"10.1021\/acssensors.2c02496","volume":"8","author":"Dreos","year":"2023","journal-title":"ACS Sens."},{"key":"D5SC07670F\/cit111\/1","doi-asserted-by":"crossref","first-page":"23195","DOI":"10.1039\/C8CP04329A","volume":"20","author":"Tebikachew","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit112\/1","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1021\/jacs.1c04322","volume":"144","author":"Alex","year":"2022","journal-title":"J. Am. Chem. Soc."},{"key":"D5SC07670F\/cit113\/1","doi-asserted-by":"crossref","first-page":"700","DOI":"10.1002\/asia.201801649","volume":"14","author":"Crespo-Otero","year":"2019","journal-title":"Chem.\u2013Asian J."},{"key":"D5SC07670F\/cit114\/1","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1002\/9781119643098.ch14","volume-title":"Handbook of Aggregation-Induced Emission","author":"Crespo-Otero","year":"2022","unstructured":"R.Crespo-Otero ,  L.Blancafort ,  A global potential energy surface approach to the photophysics of AIEgens , in  Handbook of Aggregation-Induced Emission , ed.  Y. Tang  and  B. Z. Tang ,  Wiley ,  pp. 411\u2013454 ,  Hoboken, NJ ,  2022"},{"key":"D5SC07670F\/cit115\/1","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1070\/RC1991v060n05ABEH001088","volume":"60","author":"Bren\u2019","year":"1991","journal-title":"Russ. Chem. Rev. (Engl. Transl.)"},{"key":"D5SC07670F\/cit116\/1","doi-asserted-by":"crossref","first-page":"5678","DOI":"10.1021\/cr5004419","volume":"115","author":"Wa Chung","year":"2015","journal-title":"Chem. Rev."},{"key":"D5SC07670F\/cit117\/1","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1002\/jcc.540050204","volume":"5","author":"Singh","year":"1984","journal-title":"J. Comput. Chem."},{"key":"D5SC07670F\/cit118\/1","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1002\/jcc.540110404","volume":"11","author":"Besler","year":"1990","journal-title":"J. Comput. Chem."},{"key":"D5SC07670F\/cit119\/1","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1016\/S0166-1280(00)00487-5","volume":"527","author":"Woods","year":"2000","journal-title":"J. Mol. Struct. THEOCHEM"},{"issue":"2","key":"D5SC07670F\/cit120\/1","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1063\/1.449486","volume":"83","author":"Reed","year":"1985","journal-title":"F. J. Chem. Phys."},{"key":"D5SC07670F\/cit121\/1","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1007\/BF00549096","volume":"44","author":"Hirshfeld","year":"1977","journal-title":"Theor. Chim. Acta"},{"key":"D5SC07670F\/cit122\/1","unstructured":"fromage2 https:\/\/github.com\/Crespo-Otero-group\/fromage\/tree\/fromage2"},{"key":"D5SC07670F\/cit123\/1","doi-asserted-by":"crossref","first-page":"2790","DOI":"10.1021\/jp400401f","volume":"117","author":"Ruckenbauer","year":"2013","journal-title":"J. Phys. Chem. A"},{"key":"D5SC07670F\/cit124\/1","doi-asserted-by":"crossref","first-page":"1301","DOI":"10.1107\/S010827018300829X","volume":"39","author":"Maeda","year":"1983","journal-title":"Acta Crystallogr., Sect. C: Cryst. Struct. Commun."},{"key":"D5SC07670F\/cit125\/1","first-page":"395502","volume":"21","author":"Giannozzi","year":"2009","journal-title":"J. Phys.: Condens. Matter"},{"key":"D5SC07670F\/cit126\/1","first-page":"465901","volume":"29","author":"Giannozzi","year":"2017","journal-title":"J. Phys.: Condens. Matter"},{"key":"D5SC07670F\/cit127\/1","doi-asserted-by":"crossref","first-page":"5925","DOI":"10.1021\/acs.jctc.9b00532","volume":"15","author":"Galv\u00e1n","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit128\/1","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1007\/BF01113842","volume":"90","author":"Pierloot","year":"1995","journal-title":"Theor. Chim. Acta"},{"issue":"3","key":"D5SC07670F\/cit130\/1","doi-asserted-by":"crossref","first-page":"1652","DOI":"10.1021\/acs.jctc.8b01176","volume":"15","author":"Bannwarth","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit131\/1","doi-asserted-by":"crossref","first-page":"2999","DOI":"10.1021\/cr9904009","volume":"105","author":"Tomasi","year":"2005","journal-title":"Chem. Rev."},{"key":"D5SC07670F\/cit132\/1","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1016\/j.chemphys.2008.10.013","volume":"356","author":"Pittner","year":"2009","journal-title":"Chem. Phys."},{"key":"D5SC07670F\/cit133\/1","doi-asserted-by":"crossref","first-page":"134114","DOI":"10.1063\/1.2715585","volume":"126","author":"Granucci","year":"2007","journal-title":"J. Chem. Phys."},{"key":"D5SC07670F\/cit134\/1","doi-asserted-by":"crossref","first-page":"6933","DOI":"10.1021\/acs.jctc.3c00182","volume":"19","author":"Li Manni","year":"2023","journal-title":"J. Chem. Theory Comput."},{"key":"D5SC07670F\/cit135\/1","doi-asserted-by":"crossref","first-page":"626","DOI":"10.1002\/jcc.27027","volume":"44","author":"Cerezo","year":"2022","journal-title":"J. Comput. Chem."},{"key":"D5SC07670F\/cit136\/1","doi-asserted-by":"crossref","first-page":"29437","DOI":"10.1039\/D2CP04802G","volume":"24","author":"Sidat","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5SC07670F\/cit137\/1","doi-asserted-by":"crossref","first-page":"1140","DOI":"10.1016\/j.matt.2023.01.015","volume":"6","author":"Rodr\u00edguez-Cort\u00e9s","year":"2023","journal-title":"Matter"}],"container-title":["Chemical Science"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/SC\/D5SC07670F","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T17:56:02Z","timestamp":1783533362000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/sc\/article\/17\/14\/7157-7170\/911356"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":136,"journal-issue":{"issue":"14","published-print":{"date-parts":[[2026,4,16]]}},"URL":"https:\/\/doi.org\/10.1039\/d5sc07670f","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2025-3jqnp","asserted-by":"object"}]},"ISSN":["2041-6520","2041-6539"],"issn-type":[{"value":"2041-6520","type":"print"},{"value":"2041-6539","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}