{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,7]],"date-time":"2026-08-07T14:33:43Z","timestamp":1786113223984,"version":"build-2736575974"},"reference-count":80,"publisher":"Royal Society of Chemistry (RSC)","issue":"30","license":[{"start":{"date-parts":[[2027,7,7]],"date-time":"2027-07-07T00:00:00Z","timestamp":1814918400000},"content-version":"am","delay-in-days":552,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22373107"],"award-info":[{"award-number":["22373107"]}],"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":["22525305"],"award-info":[{"award-number":["22525305"]}],"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":["22573078"],"award-info":[{"award-number":["22573078"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004194","name":"Northwest University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004194","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    A neural network based \u0394-machine learning approach is used to build up diabatic potential energy matrices of 3-state coupled Cl\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sup>+<\/jats:sup>\n                    and 4-state coupled ArNO\n                    <jats:sup>+<\/jats:sup>\n                    systems accurately and efficiently, saving \u223c80% of the high-level calculation costs.\n                  <\/jats:p>","DOI":"10.1039\/d6cp01909a","type":"journal-article","created":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T08:23:24Z","timestamp":1783412604000},"page":"18405-18416","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["\u0394-Machine learning for coupled potential energy surfaces: application to the three-state coupled Cl\n                    <sub>2<\/sub>\n                    O\n                    <sup>+<\/sup>\n                    and four-state coupled ArNO\n                    <sup>+<\/sup>\n                    systems"],"prefix":"10.1039","volume":"28","author":[{"given":"Jiawen","family":"Liu","sequence":"first","affiliation":[{"name":"Institute of Modern Physics, Shaanxi Key Laboratory for Theoretical Physics Frontiers, Northwest University, Xi\u2019an, Shaanxi 710127, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Siting","family":"Hou","sequence":"additional","affiliation":[{"name":"Institute of Modern Physics, Shaanxi Key Laboratory for Theoretical Physics Frontiers, Northwest University, Xi\u2019an, Shaanxi 710127, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6168-7630","authenticated-orcid":false,"given":"Hong","family":"Gao","sequence":"additional","affiliation":[{"name":"Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China"},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2062-430X","authenticated-orcid":false,"given":"Changjian","family":"Xie","sequence":"additional","affiliation":[{"name":"Institute of Modern Physics, Shaanxi Key Laboratory for Theoretical Physics Frontiers, Northwest University, Xi\u2019an, Shaanxi 710127, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D6CP01909A\/cit1\/1","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1002\/andp.19273892002","volume":"84","author":"Born","year":"1927","journal-title":"Ann. Phys."},{"key":"D6CP01909A\/cit2\/1","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1021\/ar020219d","volume":"37","author":"Van Der Horst","year":"2004","journal-title":"Acc. Chem. Res."},{"key":"D6CP01909A\/cit3\/1","doi-asserted-by":"crossref","first-page":"613","DOI":"10.1146\/annurev.physchem.57.032905.104612","volume":"58","author":"Levine","year":"2007","journal-title":"Annu. Rev. Phys. Chem."},{"key":"D6CP01909A\/cit4\/1","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1021\/acs.chemrev.5b00700","volume":"117","author":"Curutchet","year":"2017","journal-title":"Chem. Rev."},{"key":"D6CP01909A\/cit5\/1","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1073\/pnas.96.11.6177","volume":"96","author":"Weber","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D6CP01909A\/cit6\/1","doi-asserted-by":"crossref","DOI":"10.1142\/5406","volume-title":"Conical Intersections: Electronic Structure, Dynamics and Spectroscopy","author":"Domcke","year":"2004","unstructured":"W.Domcke ,  D. R.Yarkony  and  H.K\u00f6ppel ,  Conical Intersections: Electronic Structure, Dynamics and Spectroscopy ,  World Scientific ,  Singapore ,  2004"},{"key":"D6CP01909A\/cit7\/1","doi-asserted-by":"crossref","first-page":"26335","DOI":"10.1039\/C6CP05553B","volume":"18","author":"Guo","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit8\/1","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/j.comptc.2019.01.020","volume":"1152","author":"Yarkony","year":"2019","journal-title":"Comput. Theor. Chem."},{"key":"D6CP01909A\/cit9\/1","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1016\/0009-2614(75)85599-0","volume":"35","author":"Baer","year":"1975","journal-title":"Chem. Phys. Lett."},{"key":"D6CP01909A\/cit10\/1","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1103\/PhysRev.179.111","volume":"179","author":"Smith","year":"1969","journal-title":"Phys. Rev."},{"key":"D6CP01909A\/cit11\/1","doi-asserted-by":"crossref","DOI":"10.1002\/0471780081","volume-title":"Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections","author":"Baer","year":"2006","unstructured":"M.Baer ,  Beyond Born-Oppenheimer: Electronic Nonadiabatic Coupling Terms and Conical Intersections ,  John Wiley & Sons ,  New Jersey ,  2006"},{"key":"D6CP01909A\/cit12\/1","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1021\/cr2001299","volume":"112","author":"Yarkony","year":"2012","journal-title":"Chem. Rev."},{"key":"D6CP01909A\/cit13\/1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1142\/9789812565464_0004","volume-title":"Conical intersections: electronic structure, dynamics and spectroscopy","author":"K\u00f6ppel","year":"2004","unstructured":"H.K\u00f6ppel , in  Conical intersections: electronic structure, dynamics and spectroscopy ,  World Scientific ,  2004 ,  pp. 175\u2013204"},{"key":"D6CP01909A\/cit14\/1","first-page":"59","volume":"57","author":"K\u00f6ppel","year":"1984","journal-title":"Adv. Chem. Phys."},{"key":"D6CP01909A\/cit15\/1","doi-asserted-by":"crossref","first-page":"985","DOI":"10.1103\/RevModPhys.68.985","volume":"68","author":"Yarkony","year":"1996","journal-title":"Rev. Mod. Phys."},{"key":"D6CP01909A\/cit16\/1","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1021\/acs.accounts.8b00571","volume":"52","author":"Xie","year":"2019","journal-title":"Acc. Chem. Res."},{"key":"D6CP01909A\/cit17\/1","doi-asserted-by":"crossref","first-page":"1785","DOI":"10.1021\/acs.accounts.7b00220","volume":"50","author":"Ryabinkin","year":"2017","journal-title":"Acc. Chem. Res."},{"key":"D6CP01909A\/cit18\/1","doi-asserted-by":"crossref","first-page":"2746","DOI":"10.1063\/1.480848","volume":"112","author":"Xu","year":"2000","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit19\/1","doi-asserted-by":"crossref","first-page":"1035","DOI":"10.1063\/1.1419257","volume":"116","author":"Abrol","year":"2002","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit20\/1","doi-asserted-by":"crossref","first-page":"2515","DOI":"10.1063\/1.1770756","volume":"121","author":"Evenhuis","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit21\/1","doi-asserted-by":"crossref","first-page":"104101","DOI":"10.1063\/1.3324982","volume":"132","author":"Zhu","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit22\/1","doi-asserted-by":"crossref","first-page":"3475","DOI":"10.1021\/jp311597c","volume":"117","author":"Mukherjee","year":"2013","journal-title":"J. Phys. Chem. A"},{"key":"D6CP01909A\/cit23\/1","doi-asserted-by":"crossref","first-page":"214101","DOI":"10.1063\/1.5099106","volume":"150","author":"Guan","year":"2019","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit24\/1","doi-asserted-by":"crossref","first-page":"7552","DOI":"10.1021\/acs.jpclett.0c02173","volume":"11","author":"Hong","year":"2020","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP01909A\/cit25\/1","doi-asserted-by":"crossref","first-page":"5802","DOI":"10.1063\/1.440893","volume":"74","author":"Werner","year":"1981","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit26\/1","doi-asserted-by":"crossref","first-page":"362","DOI":"10.1016\/0009-2614(93)90110-M","volume":"216","author":"Domcke","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"D6CP01909A\/cit27\/1","first-page":"1107","volume":"91","author":"Dobbyn","year":"1997","journal-title":"Mol. Phys."},{"key":"D6CP01909A\/cit28\/1","doi-asserted-by":"crossref","first-page":"244101","DOI":"10.1063\/1.3042233","volume":"129","author":"Subotnik","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit29\/1","doi-asserted-by":"crossref","first-page":"114104","DOI":"10.1063\/1.4894472","volume":"141","author":"Hoyer","year":"2014","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit30\/1","doi-asserted-by":"crossref","first-page":"10353","DOI":"10.1063\/1.1412879","volume":"115","author":"Nakamura","year":"2001","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit31\/1","doi-asserted-by":"crossref","first-page":"4603","DOI":"10.1063\/1.1646371","volume":"120","author":"Viel","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit32\/1","doi-asserted-by":"crossref","first-page":"184108","DOI":"10.1063\/1.4967258","volume":"145","author":"Wittenbrink","year":"2016","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit33\/1","doi-asserted-by":"crossref","first-page":"084105","DOI":"10.1063\/1.4997995","volume":"147","author":"Lenzen","year":"2017","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit34\/1","doi-asserted-by":"crossref","first-page":"204106","DOI":"10.1063\/1.5053664","volume":"149","author":"Williams","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit35\/1","doi-asserted-by":"crossref","first-page":"6456","DOI":"10.1021\/acs.jctc.0c00623","volume":"16","author":"Shu","year":"2020","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit36\/1","doi-asserted-by":"crossref","first-page":"1106","DOI":"10.1021\/acs.jctc.0c01110","volume":"17","author":"Shu","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit37\/1","doi-asserted-by":"crossref","first-page":"014110","DOI":"10.1063\/5.0096912","volume":"157","author":"Guan","year":"2022","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit38\/1","doi-asserted-by":"crossref","first-page":"3063","DOI":"10.1021\/acs.jctc.2c01074","volume":"19","author":"Li","year":"2023","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit39\/1","doi-asserted-by":"crossref","first-page":"6090","DOI":"10.1063\/1.443853","volume":"77","author":"Mead","year":"1982","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit40\/1","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1016\/0301-0104(76)89006-4","volume":"15","author":"Baer","year":"1976","journal-title":"Chem. Phys."},{"key":"D6CP01909A\/cit41\/1","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1063\/1674-0068\/cjcp2404054","volume":"38","author":"Hong","year":"2025","journal-title":"Chin. J. Chem. Phys."},{"key":"D6CP01909A\/cit42\/1","doi-asserted-by":"crossref","first-page":"10517","DOI":"10.1021\/acs.jpclett.3c02735","volume":"14","author":"Han","year":"2023","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP01909A\/cit43\/1","doi-asserted-by":"crossref","first-page":"8807","DOI":"10.1021\/acs.jctc.4c00977","volume":"20","author":"Nandi","year":"2024","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit44\/1","doi-asserted-by":"crossref","first-page":"11192","DOI":"10.1039\/D3CP00665D","volume":"25","author":"Song","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit45\/1","doi-asserted-by":"crossref","first-page":"8765","DOI":"10.1021\/acs.jpca.3c05318","volume":"127","author":"Liu","year":"2023","journal-title":"J. Phys. Chem. A"},{"key":"D6CP01909A\/cit46\/1","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1039\/D2DD00057A","volume":"1","author":"Qu","year":"2022","journal-title":"Digital Discovery"},{"key":"D6CP01909A\/cit47\/1","doi-asserted-by":"crossref","first-page":"4729","DOI":"10.1021\/acs.jpclett.2c01064","volume":"13","author":"Liu","year":"2022","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP01909A\/cit48\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/acs.jctc.2c01034","volume":"19","author":"Bowman","year":"2023","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit49\/1","doi-asserted-by":"crossref","first-page":"4902","DOI":"10.1021\/acs.jpclett.1c01142","volume":"12","author":"Qu","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"D6CP01909A\/cit50\/1","doi-asserted-by":"crossref","first-page":"051102","DOI":"10.1063\/5.0038301","volume":"154","author":"Nandi","year":"2021","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit51\/1","doi-asserted-by":"crossref","first-page":"21604","DOI":"10.1039\/D5CP03026A","volume":"27","author":"Liu","year":"2025","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit52\/1","doi-asserted-by":"crossref","first-page":"12051","DOI":"10.1039\/D5CP00599J","volume":"27","author":"Fu","year":"2025","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit53\/1","doi-asserted-by":"crossref","first-page":"5516","DOI":"10.1021\/acs.jpca.4c02028","volume":"128","author":"Li","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D6CP01909A\/cit54\/1","doi-asserted-by":"crossref","first-page":"2087","DOI":"10.1021\/acs.jctc.5b00099","volume":"11","author":"Ramakrishnan","year":"2015","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit55\/1","doi-asserted-by":"crossref","first-page":"2089","DOI":"10.1021\/acs.jctc.5c01758","volume":"22","author":"Hou","year":"2026","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit56\/1","doi-asserted-by":"crossref","first-page":"18775","DOI":"10.1039\/D3CP01936E","volume":"25","author":"Hou","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit57\/1","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/0301-0104(80)80045-0","volume":"48","author":"Roos","year":"1980","journal-title":"Chem. Phys."},{"key":"D6CP01909A\/cit58\/1","first-page":"1","volume":"69","author":"Werner","year":"1987","journal-title":"Adv. Chem. Phys."},{"key":"D6CP01909A\/cit59\/1","doi-asserted-by":"crossref","first-page":"664","DOI":"10.1039\/b008063m","volume":"3","author":"Lischka","year":"2001","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit60\/1","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1021\/ct9004917","volume":"6","author":"Xie","year":"2010","journal-title":"J. Chem. Theory Comput."},{"key":"D6CP01909A\/cit61\/1","doi-asserted-by":"crossref","first-page":"144107","DOI":"10.1063\/1.5054310","volume":"149","author":"Xie","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit62\/1","doi-asserted-by":"crossref","first-page":"3289","DOI":"10.1063\/1.438759","volume":"71","author":"Dotan","year":"1979","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit63\/1","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/0009-2614(85)85017-X","volume":"113","author":"O'Keefe","year":"1985","journal-title":"Chem. Phys. Lett."},{"key":"D6CP01909A\/cit64\/1","doi-asserted-by":"crossref","first-page":"9171","DOI":"10.1021\/acs.jpca.8b08005","volume":"122","author":"Hu","year":"2018","journal-title":"J. Phys. Chem. A"},{"key":"D6CP01909A\/cit65\/1","unstructured":"Unpublished experimental results for the Ar + (P 3\/2 , P 1\/2 ) + NO(X 2 \u03a0) charge transfer reactions"},{"key":"D6CP01909A\/cit66\/1","doi-asserted-by":"crossref","first-page":"7348","DOI":"10.1063\/1.466879","volume":"100","author":"Graul","year":"1994","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit67\/1","doi-asserted-by":"crossref","first-page":"7046","DOI":"10.1021\/acs.jpca.4c04392","volume":"128","author":"Hou","year":"2024","journal-title":"J. Phys. Chem. A"},{"key":"D6CP01909A\/cit68\/1","author":"Madsen","unstructured":"K.Madsen ,  H. B.Nielsen  and  O.Tingleff ,  Methods for non-linear least squares problems , Informatics and Mathematical Modelling, Technical University of Denmark, 2004"},{"key":"D6CP01909A\/cit69\/1","doi-asserted-by":"crossref","first-page":"8888","DOI":"10.1063\/1.1413980","volume":"115","author":"Candori","year":"2001","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit70\/1","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning Jr","year":"1989","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit71\/1","doi-asserted-by":"crossref","first-page":"1358","DOI":"10.1063\/1.464303","volume":"98","author":"Woon","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit72\/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":"D6CP01909A\/cit73\/1","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1002\/wcms.82","volume":"2","author":"Werner","year":"2012","journal-title":"WIREs Comput. Mol. Sci."},{"key":"D6CP01909A\/cit74\/1","doi-asserted-by":"crossref","first-page":"144107","DOI":"10.1063\/5.0005081","volume":"152","author":"Werner","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit75\/1","author":"Werner","unstructured":"MOLPRO, version 2015.1, a package of ab initio programs,  H.-J.Werner ,  P. J.Knowles ,  P.Celani ,  W.Gy\u00f6rffy ,  A.Hesselmann ,  D.Kats ,  G.Knizia ,  A.K\u00f6hn ,  T.Korona ,  D.Kreplin ,  R.Lindh ,  Q.Ma ,  F. R.Manby ,  A.Mitrushenkov ,  G.Rauhut ,  M.Sch\u00fctz ,  K. R.Shamasundar ,  T. B.Adler ,  R. D.Amos ,  J.Baker ,  S. J.Bennie ,  A.Bernhardsson ,  A.Berning ,  J. A.Black ,  P. J.Bygrave ,  R.Cimiraglia ,  D. L.Cooper ,  D.Coughtrie ,  M. J. O.Deegan ,  A. J.Dobbyn ,  K.Doll ,  M.Dornbach ,  F.Eckert ,  S.Erfort ,  E.Goll ,  C.Hampel ,  G.Hetzer ,  J. G.Hill ,  M.Hodges ,  T.Hrenar ,  G.Jansen ,  C.K\u00f6ppl ,  C.Kollmar ,  S. J. R.Lee ,  Y.Liu ,  A. W.Lloyd ,  R. A.Mata ,  A. J.May ,  B.Mussard ,  S. J.McNicholas ,  W.Meyer ,  T. F.Miller III ,  M. E.Mura ,  A.Nicklass ,  D. P.O'Neill ,  P.Palmieri ,  D.Peng ,  K. A.Peterson ,  K.Pfl\u00fcger ,  R.Pitzer ,  I.Polyak ,  P.Pulay ,  M.Reiher ,  J. O.Richardson ,  J. B.Robinson ,  B.Schr\u00f6der ,  M.Schwilk ,  T.Shiozaki ,  M.Sibaev ,  H.Stoll ,  A. J.Stone ,  R.Tarroni ,  T.Thorsteinsson ,  J.Toulouse ,  M.Wang ,  M.Welborn  and  B.Ziegler , see  https:\/\/www.molpro.net"},{"key":"D6CP01909A\/cit76\/1","doi-asserted-by":"crossref","first-page":"022703","DOI":"10.1103\/PhysRevA.74.022703","volume":"74","author":"Lin","year":"2006","journal-title":"Phys. Rev. A"},{"key":"D6CP01909A\/cit77\/1","doi-asserted-by":"crossref","first-page":"084112","DOI":"10.1063\/1.3328109","volume":"132","author":"Sun","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D6CP01909A\/cit78\/1","doi-asserted-by":"crossref","first-page":"23808","DOI":"10.1039\/D3CP03168C","volume":"25","author":"Wang","year":"2023","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01909A\/cit79\/1","doi-asserted-by":"crossref","first-page":"1001","DOI":"10.1038\/s41467-024-45344-6","volume":"15","author":"Zhang","year":"2024","journal-title":"Nat. Commun."},{"key":"D6CP01909A\/cit80\/1","doi-asserted-by":"crossref","first-page":"1255","DOI":"10.1038\/s41557-023-01278-y","volume":"15","author":"Zhang","year":"2023","journal-title":"Nat. Chem."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP01909A\/0\/D6CP01909A.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T18:05:40Z","timestamp":1785953140000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP01909A"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":80,"journal-issue":{"issue":"30","published-print":{"date-parts":[[2026,8,5]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp01909a","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}