{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T04:30:20Z","timestamp":1790829020945,"version":"4.1.0"},"reference-count":105,"publisher":"American Chemical Society (ACS)","issue":"32","license":[{"start":{"date-parts":[[2024,8,3]],"date-time":"2024-08-03T00:00:00Z","timestamp":1722643200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,8,3]],"date-time":"2024-08-03T00:00:00Z","timestamp":1722643200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,8,3]],"date-time":"2024-08-03T00:00:00Z","timestamp":1722643200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100013160","name":"Venture and Innovation Support Program for Chongqing Overseas Returnees","doi-asserted-by":"publisher","award":["cx2021071"],"award-info":[{"award-number":["cx2021071"]}],"id":[{"id":"10.13039\/501100013160","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21973009"],"award-info":[{"award-number":["21973009"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Chongqing Talent Program","award":["cstc2021ycjh-bgzxm0070"],"award-info":[{"award-number":["cstc2021ycjh-bgzxm0070"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2024,8,15]]},"DOI":"10.1021\/acs.jpca.4c02432","type":"journal-article","created":{"date-parts":[[2024,8,3]],"date-time":"2024-08-03T13:28:12Z","timestamp":1722691692000},"page":"6636-6647","source":"Crossref","is-referenced-by-count":8,"title":["Fundamental Invariant Neural Network (FI-NN) Potential Energy Surface for the OH + CH<sub>3<\/sub>OH Reaction with Analytical Forces"],"prefix":"10.1021","volume":"128","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8141-834X","authenticated-orcid":true,"given":"Kaisheng","family":"Song","sequence":"first","affiliation":[{"name":"School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Chemical Theory and Mechanism, Chongqing University, Chongqing 401331, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2392-8322","authenticated-orcid":true,"given":"Jun","family":"Li","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering & Chongqing Key Laboratory of Chemical Theory and Mechanism, Chongqing University, Chongqing 401331, P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,8,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/S0082-0784(06)80710-1"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00033a013"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1002\/kin.550231203"},{"key":"ref4\/cit4","first-page":"3","volume":"93","author":"McCaulley J. A.","year":"1989","journal-title":"J. Phys. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/j100342a049"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(88)87462-1"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/kin.550191106"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1063\/1.555802"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.555786"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.555759"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/bbpc.19850890339"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(84)87019-0"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/bbpc.19830871112"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/0004-6981(82)90163-9"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/S0082-0784(81)80053-7"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/0010-2180(81)90142-5"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/S0082-0784(81)80086-0"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/j100515a022"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/j100501a001"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/0047-2670(75)87001-8"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/0010-2180(75)90106-6"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP04173F"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP06369H"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.3847\/0004-637X\/823\/1\/25"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.4918529"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b04875"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2015.1021729"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp5002995"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.1736"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.1692"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jp805643x"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.proci.2006.07.132"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1080\/00102207908946902"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jp0673516"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1039\/B413961E"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/S1010-6030(03)00073-X"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1039\/B205630E"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-1280(00)00827-7"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.556010"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/S0082-0784(96)80315-8"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1093\/mnras\/stae232"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP00665D"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/5.0137372"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1017\/S1743921319006446"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP00439D"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.5081827"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acsearthspacechem.9b00051"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.proci.2018.05.179"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b00555"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP04970J"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.8b00304"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b12773"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c01064"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.4961454"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/5.0010104"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1039\/D3RA02069J"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1039\/C9SC05951B"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/D3CP00312D"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-32191-6"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c01323"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00006"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1093\/nsr\/nwad321"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ct9004917"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.4832697"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.4817187"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1039\/D4CP00417E"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00054"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP04221H"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c01142"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c00769"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/5.0080506"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp21668f"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1080\/0144235X.2016.1200347"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1080\/00268970009483386"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c05417"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP05693A"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.4748857"},{"key":"ref78\/cit78","unstructured":"Werner, H.J.; Knowles, P. J.; Manby, F. R.; Black, J. A.; Doll, K.; He\u00dfelmann, A.; Kats, D.; K\u00f6hn, A.; Korona, T.; Kreplin, D. A.  Molpro, version 2020, a package of ab initio programs. 2020, see https:\/\/www.molpro.net."},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp02456b"},{"key":"ref80\/cit80","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780199765652.001.0001","volume-title":"Neural Networks in Chemical Reaction Dynamics","author":"Raff L.","year":"2012"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP00870J"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2314819121"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1039\/D2CP04521D"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1063\/5.0112228"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP03687D"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP00865J"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c11213"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c04182"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP01553A"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP04405A"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2804"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1063\/1.3159748"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00043"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1063\/1.4954765"},{"key":"ref95\/cit95","doi-asserted-by":"crossref","unstructured":"Intel Corporation,  Intel oneAPI Math Kernel Library, 2022.0.1, Retrieved\nfrom https:\/\/software.intel.com\/content\/www\/us\/en\/develop\/tools\/oneapi\/components\/onemkl.html. (accessed July 10, 2023).","DOI":"10.1201\/9781003393122-1"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP06919K"},{"issue":"7","key":"ref97\/cit97","first-page":"2146","volume":"42","author":"Chenyao S.","year":"2021","journal-title":"Chem. J. Chin. Univ."},{"key":"ref98\/cit98","first-page":"671","volume":"16","author":"Hase W. L.","year":"1996","journal-title":"Quantum Chem. Program Exch. Bull."},{"key":"ref99\/cit99","doi-asserted-by":"crossref","unstructured":"Bunker, D. Classical trajectory methods. In  Meth. Comp. Phys., Rotenberg, B. A. S. F. M. Ed. 1971; 10; 287\u2013324.","DOI":"10.1016\/B978-0-12-460810-8.50012-9"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1080\/0144235X.2012.752905"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1063\/1.2827134"},{"key":"ref102\/cit102","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1007\/978-1-4613-2913-8_16","volume-title":"Atom-Molecule Collision Theory: A Guide for the Experimentalist","author":"Truhlar D. G.","year":"1979"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1063\/1.3276633"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1063\/1.3481781"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1021\/jp4038107"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c02432","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c02432","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,15]],"date-time":"2024-08-15T08:10:52Z","timestamp":1723709452000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.4c02432"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,3]]},"references-count":105,"journal-issue":{"issue":"32","published-print":{"date-parts":[[2024,8,15]]}},"alternative-id":["10.1021\/acs.jpca.4c02432"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.4c02432","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,3]]}}}