{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T06:44:17Z","timestamp":1789713857617,"version":"4.0.1"},"reference-count":75,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T00:00:00Z","timestamp":1745193600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100021171","name":"Basic and Applied Basic Research Foundation of Guangdong Province","doi-asserted-by":"publisher","award":["2025A1515012183"],"award-info":[{"award-number":["2025A1515012183"]}],"id":[{"id":"10.13039\/501100021171","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002726","name":"Beijing Normal University","doi-asserted-by":"publisher","award":["312200502511"],"award-info":[{"award-number":["312200502511"]}],"id":[{"id":"10.13039\/501100002726","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005089","name":"Natural Science Foundation of Beijing Municipality","doi-asserted-by":"publisher","award":["2244074"],"award-info":[{"award-number":["2244074"]}],"id":[{"id":"10.13039\/501100005089","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21973005"],"award-info":[{"award-number":["21973005"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22333003"],"award-info":[{"award-number":["22333003"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22361132528"],"award-info":[{"award-number":["22361132528"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22373010"],"award-info":[{"award-number":["22373010"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22403008"],"award-info":[{"award-number":["22403008"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2025,5,13]]},"DOI":"10.1021\/acs.jctc.5c00397","type":"journal-article","created":{"date-parts":[[2025,4,21]],"date-time":"2025-04-21T10:48:26Z","timestamp":1745232506000},"page":"4386-4396","source":"Crossref","is-referenced-by-count":1,"title":["Nonadiabatic Dynamics of Intersystem Crossings with the Symmetrical Quasi-Classical Dynamics Method Based on the Meyer\u2013Miller Mapping Hamiltonian"],"prefix":"10.1021","volume":"21","author":[{"given":"Haiyi","family":"Huang","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Arts and Sciences, Center for Advanced Materials Research","place":["Zhuhai, China"]},{"name":"Beijing Normal University","place":["Zhuhai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiawei","family":"Peng","sequence":"additional","affiliation":[{"name":"SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, School of Environment","place":["Guangzhou, China"]},{"name":"South China Normal University","place":["Guangzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8509-0388","authenticated-orcid":true,"given":"Zhenggang","family":"Lan","sequence":"additional","affiliation":[{"name":"SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, School of Environment","place":["Guangzhou, China"]},{"name":"South China Normal University","place":["Guangzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7161-1253","authenticated-orcid":true,"given":"Deping","family":"Hu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Arts and Sciences, Center for Advanced Materials Research","place":["Zhuhai, China"]},{"name":"Beijing Normal University","place":["Zhuhai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8761-5339","authenticated-orcid":true,"given":"Ya-Jun","family":"Liu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Arts and Sciences, Center for Advanced Materials Research","place":["Zhuhai, China"]},{"name":"Beijing Normal University","place":["Zhuhai, China"]},{"name":"Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry","place":["Beijing, China"]},{"name":"Beijing Normal University","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,4,21]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","DOI":"10.1142\/5406","volume-title":"Conical Intersections: Electronic Structure, Dynamics & Spectroscopy","volume":"15","author":"Domcke W.","year":"2004"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","DOI":"10.1142\/7803","volume-title":"Conical Intersections: Theory, Computation and Experiment","volume":"17","author":"Domcke W.","year":"2011"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00491"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-032210-103522"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00617"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ar500369r"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP02981B"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp509728m"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201600662"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/nature11687"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ct300798t"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00649"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.jphotochemrev.2022.100537"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00577"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1063\/1.4936864"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.4707737"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ct1007394"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1063\/1.5095204"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b01406"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/S0370-1573(99)00047-2"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.41.6676"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1143\/JPSJ.75.082001"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.6b00710"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.459170"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24891"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.4894849"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP08601F"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00811G"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1370"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.27271"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-040215-112245"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.437910"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.4845235"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jp401078u"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01178"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.4963914"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.5087160"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.5094458"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/C6FD00181E"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.7b03002"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.5037815"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.5031788"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1674-0068\/30\/cjcp1711210"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01249"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.5047002"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00648C"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01267"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ct500953r"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b02747"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/5.0127118"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.3c02985"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2022.2153761"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.4c00793"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP02682G"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00631"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/5.0061934"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/ct501106d"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ja710763w"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.479255"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1063\/1.5100506"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1063\/1.5143412"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.5030634"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b00077"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-003-0439-1"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.3535541"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.478522"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1063\/1.448975"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20495"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/jp9716997"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10189"},{"key":"ref73\/cit73","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.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J.\n                      Gaussian Inc 16. Revision B.01\n                      ; Gaussian Inc.: Wallingford CT, 2016."},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.40.749"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2014.952696"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.5c00397","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.5c00397","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,13]],"date-time":"2025-05-13T04:10:32Z","timestamp":1747109432000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.5c00397"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,4,21]]},"references-count":75,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2025,5,13]]}},"alternative-id":["10.1021\/acs.jctc.5c00397"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.5c00397","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2025-8j6lk","asserted-by":"object"}]},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,4,21]]}}}