{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T20:00:08Z","timestamp":1791230408450,"version":"4.1.0"},"reference-count":87,"publisher":"Royal Society of Chemistry (RSC)","issue":"21","license":[{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"vor","delay-in-days":116,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100003977","name":"Israel Science Foundation","doi-asserted-by":"publisher","award":["1153\/23"],"award-info":[{"award-number":["1153\/23"]}],"id":[{"id":"10.13039\/501100003977","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003977","name":"Israel Science Foundation","doi-asserted-by":"publisher","award":["2539\/25"],"award-info":[{"award-number":["2539\/25"]}],"id":[{"id":"10.13039\/501100003977","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>The 3D coincidence imaging measurements of three-body breakup dynamics in ultrafast EUV pump \u2013 near IR probe experiments are explained by the non-adiabatic CASPT2 level AIMD simulations of the formic acid dimer in excited dication states.<\/jats:p>","DOI":"10.1039\/d6cp00331a","type":"journal-article","created":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T12:40:57Z","timestamp":1777293657000},"page":"12952-12960","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Non-adiabatic origin of roaming OH dynamics in the formic acid dimer dication"],"prefix":"10.1039","volume":"28","author":[{"given":"Saroj","family":"Barik","sequence":"first","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3088-6290","authenticated-orcid":false,"given":"Ester","family":"Livshits","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"},{"name":"Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roi","family":"Baer","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"},{"name":"Fritz Haber Research Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9000-3816","authenticated-orcid":false,"given":"Daniel","family":"Strasser","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"issue":"15","key":"D6CP00331A\/cit1\/1","doi-asserted-by":"publisher","first-page":"e202218770","DOI":"10.1002\/anie.202218770","volume":"62","author":"Licht","year":"2023","journal-title":"Angew. Chem. Int. Ed."},{"issue":"21","key":"D6CP00331A\/cit2\/1","doi-asserted-by":"publisher","first-page":"E4125","DOI":"10.1073\/pnas.1616464114","volume":"114","author":"Stein","year":"2017","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"1","key":"D6CP00331A\/cit3\/1","doi-asserted-by":"publisher","first-page":"6322","DOI":"10.1038\/s41467-024-50759-2","volume":"15","author":"Livshits","year":"2024","journal-title":"Nat. Commun."},{"issue":"7","key":"D6CP00331A\/cit4\/1","doi-asserted-by":"publisher","first-page":"3051","DOI":"10.1039\/d4sc07986h","volume":"16","author":"Londo\u00f1o-Restrepo","year":"2025","journal-title":"Chem. Sci."},{"issue":"30","key":"D6CP00331A\/cit5\/1","doi-asserted-by":"publisher","first-page":"19665","DOI":"10.1039\/c7cp02090b","volume":"19","author":"Gatchell","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00331A\/cit6\/1","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1038\/s42004-022-00629-z","volume":"5","author":"Ganguly","year":"2022","journal-title":"Commun. Chem."},{"issue":"12","key":"D6CP00331A\/cit7\/1","doi-asserted-by":"publisher","first-page":"2557","DOI":"10.1021\/acsearthspacechem.4c00242","volume":"8","author":"Matsubara","year":"2024","journal-title":"ACS Earth Space Chem."},{"issue":"31","key":"D6CP00331A\/cit8\/1","doi-asserted-by":"publisher","first-page":"6392","DOI":"10.1021\/acs.jpca.4c02875","volume":"128","author":"Daniely","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00331A\/cit9\/1","doi-asserted-by":"publisher","first-page":"379","DOI":"10.1146\/annurev-physchem-040513-103605","volume":"66","author":"Alizadeh","year":"2015","journal-title":"Annu. Rev. Phys. Chem."},{"key":"D6CP00331A\/cit10\/1","doi-asserted-by":"publisher","first-page":"871","DOI":"10.3109\/09553002.2012.698031","volume":"88","author":"Hergenhahn","year":"2012","journal-title":"Int. J. Radiat. Biol."},{"key":"D6CP00331A\/cit11\/1","doi-asserted-by":"publisher","first-page":"743","DOI":"10.1080\/09553002.2017.1312670","author":"Yokoya","year":"2017","journal-title":"Int. J. Radiat. Biol."},{"issue":"36","key":"D6CP00331A\/cit12\/1","doi-asserted-by":"publisher","first-page":"24819","DOI":"10.1039\/d3cp02879h","volume":"25","author":"Asmussen","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00331A\/cit13\/1","doi-asserted-by":"publisher","first-page":"37","DOI":"10.1021\/acs.jpca.5c02619","volume":"16","author":"Barik","year":"2025","journal-title":"J. Phys. Chem. A"},{"key":"D6CP00331A\/cit14\/1","doi-asserted-by":"publisher","first-page":"497","DOI":"10.1146\/annurev-physchem-040214-121821","volume":"66","author":"Schreier","year":"2015","journal-title":"Annu. Rev. Phys. Chem."},{"issue":"3","key":"D6CP00331A\/cit15\/1","doi-asserted-by":"publisher","first-page":"724","DOI":"10.1103\/RevModPhys.35.724","volume":"35","author":"L\u00f6wdin","year":"1963","journal-title":"Rev. Mod. Phys."},{"issue":"4356","key":"D6CP00331A\/cit16\/1","doi-asserted-by":"publisher","first-page":"737","DOI":"10.1038\/171737a0","volume":"171","author":"Watson","year":"1953","journal-title":"Nature"},{"issue":"6","key":"D6CP00331A\/cit17\/1","doi-asserted-by":"publisher","first-page":"1522","DOI":"10.1021\/ja953175v","volume":"118","author":"Kim","year":"1996","journal-title":"J. Am. Chem. Soc."},{"issue":"12","key":"D6CP00331A\/cit18\/1","doi-asserted-by":"publisher","first-page":"124304","DOI":"10.1063\/1.4931052","volume":"143","author":"Ivanov","year":"2015","journal-title":"J. Chem. Phys."},{"issue":"13","key":"D6CP00331A\/cit19\/1","doi-asserted-by":"publisher","first-page":"5903","DOI":"10.1063\/1.1398090","volume":"115","author":"Ushiyama","year":"2001","journal-title":"J. Chem. Phys."},{"issue":"21","key":"D6CP00331A\/cit20\/1","doi-asserted-by":"publisher","first-page":"9498","DOI":"10.1063\/1.481585","volume":"112","author":"Kohanoff","year":"2000","journal-title":"J. Chem. Phys."},{"issue":"16","key":"D6CP00331A\/cit21\/1","doi-asserted-by":"publisher","first-page":"3048","DOI":"10.1021\/acs.jpca.0c01729","volume":"124","author":"Tachikawa","year":"2020","journal-title":"J. Phys. Chem. A"},{"issue":"3","key":"D6CP00331A\/cit22\/1","doi-asserted-by":"publisher","first-page":"869","DOI":"10.1002\/ange.201812754","volume":"131","author":"Li","year":"2019","journal-title":"Angew. Chem."},{"issue":"37","key":"D6CP00331A\/cit23\/1","doi-asserted-by":"publisher","first-page":"8306","DOI":"10.1021\/acs.jpclett.3c01654","volume":"14","author":"Sutton","year":"2023","journal-title":"J. Phys. Chem. Lett."},{"issue":"35","key":"D6CP00331A\/cit24\/1","doi-asserted-by":"publisher","first-page":"24654","DOI":"10.1039\/c6cp03462d","volume":"18","author":"Mackeprang","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00331A\/cit25\/1","doi-asserted-by":"publisher","first-page":"81","DOI":"10.1016\/j.jphotochemrev.2008.04.001","author":"Sekiya","year":"2008","journal-title":"J. Photochem. Photobiol., C"},{"issue":"10","key":"D6CP00331A\/cit26\/1","doi-asserted-by":"publisher","first-page":"5762","DOI":"10.1039\/c5sc01902h","volume":"6","author":"Crespo-Otero","year":"2015","journal-title":"Chem. Sci."},{"issue":"4","key":"D6CP00331A\/cit27\/1","doi-asserted-by":"publisher","first-page":"044312","DOI":"10.1063\/1.4985880","volume":"147","author":"Farf\u00e1n","year":"2017","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D6CP00331A\/cit28\/1","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1038\/s42004-020-0294-1","volume":"3","author":"Livshits","year":"2020","journal-title":"Commun. Chem."},{"issue":"1\u20134","key":"D6CP00331A\/cit29\/1","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1080\/0144235X.2023.2450916","volume":"42","author":"Strasser","year":"2023","journal-title":"Int. Rev. Phys. Chem."},{"issue":"9","key":"D6CP00331A\/cit30\/1","doi-asserted-by":"publisher","first-page":"6979","DOI":"10.1039\/d2cp03632k","volume":"25","author":"Gope","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"2","key":"D6CP00331A\/cit31\/1","doi-asserted-by":"publisher","first-page":"e10022","DOI":"10.1002\/ntls.10022","volume":"1","author":"Gope","year":"2021","journal-title":"Nat. Sci."},{"issue":"39","key":"D6CP00331A\/cit32\/1","doi-asserted-by":"publisher","first-page":"8084","DOI":"10.1126\/sciadv.abq8084","volume":"8","author":"Gope","year":"2022","journal-title":"Sci. Adv."},{"issue":"1","key":"D6CP00331A\/cit33\/1","doi-asserted-by":"publisher","first-page":"6656","DOI":"10.1038\/s41467-024-49671-6","volume":"15","author":"Mishra","year":"2024","journal-title":"Nat. Commun."},{"issue":"1","key":"D6CP00331A\/cit34\/1","doi-asserted-by":"publisher","first-page":"3201","DOI":"10.1038\/s41598-024-84531-9","volume":"15","author":"Ngai","year":"2025","journal-title":"Sci. Rep."},{"issue":"1","key":"D6CP00331A\/cit35\/1","doi-asserted-by":"publisher","first-page":"5186","DOI":"10.1038\/s41467-018-07577-0","volume":"9","author":"Ekanayake","year":"2018","journal-title":"Nat. Commun."},{"issue":"38","key":"D6CP00331A\/cit36\/1","doi-asserted-by":"publisher","first-page":"25118","DOI":"10.1039\/d4cp01015a","volume":"26","author":"Yoshikawa","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"18","key":"D6CP00331A\/cit37\/1","doi-asserted-by":"publisher","first-page":"4372","DOI":"10.1021\/acs.jpclett.2c03764","volume":"14","author":"Wang","year":"2023","journal-title":"J. Phys. Chem. Lett."},{"issue":"5699","key":"D6CP00331A\/cit38\/1","doi-asserted-by":"publisher","first-page":"1158","DOI":"10.1126\/science.1104386","volume":"306","author":"Townsend","year":"2004","journal-title":"Science"},{"issue":"7","key":"D6CP00331A\/cit39\/1","doi-asserted-by":"publisher","first-page":"873","DOI":"10.1021\/ar8000734","volume":"41","author":"Suits","year":"2008","journal-title":"Acc. Chem. Res."},{"issue":"4","key":"D6CP00331A\/cit40\/1","doi-asserted-by":"publisher","first-page":"044303","DOI":"10.1063\/1.2202241","volume":"125","author":"Lahankar","year":"2006","journal-title":"J. Chem. Phys."},{"issue":"17","key":"D6CP00331A\/cit41\/1","doi-asserted-by":"publisher","first-page":"4211","DOI":"10.1021\/acs.jpclett.1c01045","volume":"12","author":"Fu","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"issue":"18","key":"D6CP00331A\/cit42\/1","doi-asserted-by":"publisher","first-page":"4445","DOI":"10.1021\/jp301243a","volume":"116","author":"Bencsura","year":"2012","journal-title":"J. Phys. Chem. A"},{"issue":"6520","key":"D6CP00331A\/cit43\/1","doi-asserted-by":"publisher","first-page":"1072","DOI":"10.1126\/science.abc2960","volume":"370","author":"Endo","year":"2020","journal-title":"Science"},{"issue":"5","key":"D6CP00331A\/cit44\/1","doi-asserted-by":"publisher","first-page":"053112","DOI":"10.1103\/PhysRevA.105.053112","volume":"105","author":"Severt","year":"2022","journal-title":"Phys. Rev. A"},{"issue":"14","key":"D6CP00331A\/cit45\/1","doi-asserted-by":"publisher","first-page":"1900","DOI":"10.1021\/jz300728q","volume":"3","author":"Maeda","year":"2012","journal-title":"J. Phys. Chem. Lett."},{"issue":"17","key":"D6CP00331A\/cit46\/1","doi-asserted-by":"publisher","first-page":"3672","DOI":"10.1021\/acs.jpca.9b00724","volume":"123","author":"Ma","year":"2019","journal-title":"J. Phys. Chem. A"},{"issue":"8","key":"D6CP00331A\/cit47\/1","doi-asserted-by":"publisher","first-page":"1358","DOI":"10.1002\/jccs.202100039","volume":"68","author":"Lin","year":"2021","journal-title":"J. Chin. Chem. Soc."},{"issue":"1","key":"D6CP00331A\/cit48\/1","doi-asserted-by":"publisher","first-page":"4769","DOI":"10.1038\/s41598-020-61642-7","volume":"10","author":"Tso","year":"2020","journal-title":"Sci. Rep."},{"issue":"35","key":"D6CP00331A\/cit49\/1","doi-asserted-by":"publisher","first-page":"19405","DOI":"10.1021\/jacs.3c07126","volume":"145","author":"Liu","year":"2023","journal-title":"J. Am. Chem. Soc."},{"issue":"50","key":"D6CP00331A\/cit50\/1","doi-asserted-by":"publisher","first-page":"10647","DOI":"10.1021\/acs.jpca.3c05179","volume":"127","author":"Klippenstein","year":"2023","journal-title":"J. Phys. Chem. A"},{"issue":"8","key":"D6CP00331A\/cit51\/1","doi-asserted-by":"publisher","first-page":"1900","DOI":"10.1021\/acs.jpclett.9b00555","volume":"10","author":"Del Mazo-Sevillano","year":"2019","journal-title":"J. Phys. Chem. Lett."},{"issue":"6684","key":"D6CP00331A\/cit52\/1","doi-asserted-by":"publisher","first-page":"746","DOI":"10.1126\/science.adn3357","volume":"383","author":"Li","year":"2024","journal-title":"Science"},{"issue":"20","key":"D6CP00331A\/cit53\/1","doi-asserted-by":"publisher","first-page":"3058","DOI":"10.1021\/jz1011884","volume":"1","author":"Kamarchik","year":"2010","journal-title":"J. Phys. Chem. Lett."},{"issue":"35","key":"D6CP00331A\/cit54\/1","doi-asserted-by":"publisher","first-page":"12719","DOI":"10.1073\/pnas.0802769105","volume":"105","author":"Heazlewood","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"11","key":"D6CP00331A\/cit55\/1","doi-asserted-by":"publisher","first-page":"2816","DOI":"10.1021\/acs.jpclett.3c00134","volume":"14","author":"Bejoy","year":"2023","journal-title":"J. Phys. Chem. Lett."},{"issue":"22","key":"D6CP00331A\/cit56\/1","doi-asserted-by":"publisher","first-page":"4801","DOI":"10.1021\/acs.jpca.3c01669","volume":"127","author":"Matsubara","year":"2023","journal-title":"J. Phys. Chem. A"},{"issue":"23","key":"D6CP00331A\/cit57\/1","doi-asserted-by":"publisher","first-page":"233001","DOI":"10.1103\/PhysRevLett.130.233001","volume":"130","author":"Zhou","year":"2023","journal-title":"Phys. Rev. Lett."},{"issue":"19","key":"D6CP00331A\/cit58\/1","doi-asserted-by":"publisher","first-page":"4272","DOI":"10.1021\/acs.jpclett.2c00957","volume":"13","author":"Zhou","year":"2022","journal-title":"J. Phys. Chem. Lett."},{"issue":"2","key":"D6CP00331A\/cit59\/1","doi-asserted-by":"publisher","first-page":"826","DOI":"10.1021\/jp2111154","volume":"116","author":"Hoshina","year":"2012","journal-title":"J. Phys. Chem. A"},{"issue":"6","key":"D6CP00331A\/cit60\/1","doi-asserted-by":"publisher","first-page":"1361","DOI":"10.1021\/acs.jpclett.9b00576","volume":"10","author":"Luzon","year":"2019","journal-title":"J. Phys. Chem. Lett."},{"issue":"21","key":"D6CP00331A\/cit61\/1","doi-asserted-by":"publisher","first-page":"13488","DOI":"10.1039\/c7cp00587c","volume":"19","author":"Luzon","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"7","key":"D6CP00331A\/cit62\/1","doi-asserted-by":"publisher","first-page":"074309","DOI":"10.1063\/5.0098531","volume":"157","author":"Bittner","year":"2022","journal-title":"J. Chem. Phys."},{"issue":"19","key":"D6CP00331A\/cit63\/1","doi-asserted-by":"publisher","first-page":"194201","DOI":"10.1063\/5.0028812","volume":"153","author":"Bittner","year":"2020","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D6CP00331A\/cit64\/1","doi-asserted-by":"publisher","first-page":"4703","DOI":"10.1038\/s41598-017-04666-w","volume":"7","author":"Ekanayake","year":"2017","journal-title":"Sci. Rep."},{"key":"D6CP00331A\/cit65\/1","doi-asserted-by":"publisher","first-page":"2686","DOI":"10.1021\/jp207483y","volume":"Vol. 116","author":"Xu","year":"2012","journal-title":"In J. Phys. Chem. A"},{"key":"D6CP00331A\/cit66\/1","doi-asserted-by":"publisher","first-page":"7","DOI":"10.1038\/s42004-017-0006-7","volume":"1","author":"Ando","year":"2018","journal-title":"Commun. Chem."},{"issue":"24","key":"D6CP00331A\/cit67\/1","doi-asserted-by":"publisher","first-page":"4778","DOI":"10.1103\/PhysRevLett.79.4778","volume":"79","author":"Cederbaum","year":"1997","journal-title":"Phys. Rev. Lett."},{"key":"D6CP00331A\/cit68\/1","doi-asserted-by":"publisher","first-page":"40","DOI":"10.1016\/j.chemphys.2013.12.003","volume":"430","author":"Wang","year":"2014","journal-title":"Chem. Phys."},{"issue":"9","key":"D6CP00331A\/cit69\/1","doi-asserted-by":"publisher","first-page":"5977","DOI":"10.1063\/1.463735","volume":"97","author":"Huet","year":"1992","journal-title":"J. Chem. Phys"},{"issue":"12","key":"D6CP00331A\/cit70\/1","doi-asserted-by":"publisher","first-page":"123202","DOI":"10.1103\/c8yq-fzn5","volume":"136","author":"Liu","year":"2026","journal-title":"Phys. Rev. Lett."},{"issue":"4","key":"D6CP00331A\/cit71\/1","doi-asserted-by":"publisher","first-page":"541","DOI":"10.1038\/s41557-025-01771-6","volume":"17","author":"Bogot","year":"2025","journal-title":"Nat. Chem."},{"issue":"19","key":"D6CP00331A\/cit72\/1","doi-asserted-by":"publisher","first-page":"4430","DOI":"10.1364\/OPEX.12.004430","volume":"12","author":"Sutherland","year":"2004","journal-title":"Opt. Express"},{"issue":"3","key":"D6CP00331A\/cit73\/1","doi-asserted-by":"publisher","first-page":"033404","DOI":"10.1103\/PhysRevA.79.033404","volume":"79","author":"Brichta","year":"2009","journal-title":"Phys. Rev. A"},{"issue":"29","key":"D6CP00331A\/cit74\/1","doi-asserted-by":"publisher","first-page":"8076","DOI":"10.1021\/acs.jpca.5b04101","volume":"119","author":"Kandhasamy","year":"2015","journal-title":"J. Phys. Chem. A"},{"issue":"2","key":"D6CP00331A\/cit75\/1","doi-asserted-by":"publisher","first-page":"023305","DOI":"10.1063\/1.4908597","volume":"86","author":"Urbain","year":"2015","journal-title":"Rev. Sci. Instrum."},{"issue":"12","key":"D6CP00331A\/cit76\/1","doi-asserted-by":"publisher","first-page":"123303","DOI":"10.1063\/1.4903856","volume":"85","author":"Lee","year":"2014","journal-title":"Rev. Sci. Instrum."},{"issue":"1","key":"D6CP00331A\/cit77\/1","doi-asserted-by":"publisher","first-page":"013303","DOI":"10.1063\/1.5004523","volume":"89","author":"Shahi","year":"2018","journal-title":"Rev. Sci. Instrum."},{"issue":"23","key":"D6CP00331A\/cit78\/1","doi-asserted-by":"publisher","first-page":"2932","DOI":"10.1039\/b617919c","volume":"9","author":"Livshits","year":"2007","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP00331A\/cit79\/1","doi-asserted-by":"publisher","first-page":"85","DOI":"10.1146\/annurev.physchem.012809.103321","volume":"61","author":"Baer","year":"2010","journal-title":"Annu. Rev. Phys. Chem."},{"issue":"23","key":"D6CP00331A\/cit80\/1","doi-asserted-by":"publisher","first-page":"5735","DOI":"10.1021\/jp1057572","volume":"115","author":"Livshits","year":"2011","journal-title":"J. Phys. Chem. A"},{"issue":"2","key":"D6CP00331A\/cit81\/1","doi-asserted-by":"publisher","first-page":"184","DOI":"10.1080\/00268976.2014.952696","volume":"113","author":"Shao","year":"2015","journal-title":"Mol. Phys."},{"issue":"2","key":"D6CP00331A\/cit82\/1","doi-asserted-by":"publisher","first-page":"1061","DOI":"10.1063\/1.459170","volume":"93","author":"Tully","year":"1990","journal-title":"J. Chem. Phys"},{"issue":"1","key":"D6CP00331A\/cit83\/1","doi-asserted-by":"publisher","first-page":"1061","DOI":"10.1002\/wcms.1331","volume":"8","author":"Shiozaki","year":"2018","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"key":"D6CP00331A\/cit84\/1","doi-asserted-by":"publisher","first-page":"299","DOI":"10.1016\/S0009-2614(98)00252-8","volume":"288","author":"Finley","year":"1998","journal-title":"Chem. Phys. Lett."},{"issue":"8","key":"D6CP00331A\/cit85\/1","doi-asserted-by":"publisher","first-page":"3781","DOI":"10.1021\/acs.jctc.6b00572","volume":"12","author":"Vlaisavljevich","year":"2016","journal-title":"J. Chem. Theory Comput."},{"issue":"1","key":"D6CP00331A\/cit86\/1","doi-asserted-by":"publisher","first-page":"26","DOI":"10.1002\/wcms.1158","volume":"4","author":"Barbatti","year":"2014","journal-title":"Wiley Interdiscip. Rev. Comput. Mol. Sci."},{"issue":"8","key":"D6CP00331A\/cit87\/1","doi-asserted-by":"publisher","first-page":"3676","DOI":"10.1021\/acs.jctc.7b00559","volume":"13","author":"Park","year":"2017","journal-title":"J. Chem. Theory Comput."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D6CP00331A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T05:33:33Z","timestamp":1782884013000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/21\/12952-12960\/1227399"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":87,"journal-issue":{"issue":"21","published-print":{"date-parts":[[2026,6,3]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp00331a","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}