{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T23:50:20Z","timestamp":1788997820350,"version":"build-2803163510"},"reference-count":118,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2021,9,29]],"date-time":"2021-09-29T00:00:00Z","timestamp":1632873600000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003977","name":"Israel Science Foundation","doi-asserted-by":"publisher","award":["1969\/20"],"award-info":[{"award-number":["1969\/20"]}],"id":[{"id":"10.13039\/501100003977","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001658","name":"Minerva Foundation","doi-asserted-by":"publisher","award":["20\/05"],"award-info":[{"award-number":["20\/05"]}],"id":[{"id":"10.13039\/501100001658","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2021,10,14]]},"DOI":"10.1021\/acs.jpca.1c05124","type":"journal-article","created":{"date-parts":[[2021,9,29]],"date-time":"2021-09-29T22:26:20Z","timestamp":1632954380000},"page":"8987-8999","source":"Crossref","is-referenced-by-count":31,"title":["Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls"],"prefix":"10.1021","volume":"125","author":[{"given":"Irena","family":"Efremenko","sequence":"first","affiliation":[{"name":"Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Rehovot, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0005-5074","authenticated-orcid":true,"given":"Jan M. L.","family":"Martin","sequence":"additional","affiliation":[{"name":"Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Rehovot, Israel"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,9,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/366529a0"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ol0523143"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ja011189x"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1126\/science.287.5460.1992"},{"key":"ref5\/cit5","volume-title":"From C-H to C-C Bonds","author":"Li C.-J.","year":"2014"},{"key":"ref6\/cit6","volume-title":"Catalytic Arylation Methods: From the Academic Lab to Industrial Processes","author":"Burke A. J.","year":"2015"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1246\/cl.1999.19"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ja003361n"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1351\/pac200375040445"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.5137916"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511596834","volume-title":"Many-Body Methods in Chemistry and Physics","author":"Shavitt I.","year":"2009"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.443164"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(89)87395-6"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/1.464480"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1063\/1.4773581"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.4821834"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1371"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00511"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00442"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b05734"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01106"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01129"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00093"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.5142048"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00933"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ct501052e"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01183"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b01546"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b06135"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.9b01563"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b11997"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ct400004j"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20709"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/ct800386d"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/ct5009119"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP04913G"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.5011798"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.5127550"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00963"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP04401F"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01109"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.478522"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref46\/cit46","volume-title":"Gaussian 16","author":"Frisch M. J.","year":"2016","edition":"01"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005081"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.4981521"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004608"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0250-5"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00862-8"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20702"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1007\/BF01114537"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.2822907"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ct100396y"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ct501129s"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.4926879"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.1569242"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.2718952"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/ct9003299"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1063\/1.4907719"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp54374a"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.4952647"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.2370993"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.91.146401"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/jp050036j"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-052516-044957"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c01294"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp22592h"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23391"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b03157"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.5090222"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1063\/1.2148954"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1193"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.6b00232"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/ijch.201900114"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00111-0"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/ct100199k"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2008.10.036"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/S0167-8191(00)00020-X"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(93)89151-7"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(93)87156-W"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00054-1"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1007\/s002140050249"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1039\/b515623h"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1039\/B415208E"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP00688D"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00420"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01140"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00297"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1063\/1.2647019"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1021\/ct300495m"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/ct2006852"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00239"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00861"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1063\/1.3570574"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1063\/1.3257965"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00061"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00688"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-012-1291-y"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560360824"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00504-1"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(99)00770-8"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(03)00435-4"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1063\/1.458814"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1063\/1.464746"},{"key":"ref110\/cit110","doi-asserted-by":"publisher","DOI":"10.2307\/2332693"},{"key":"ref111\/cit111","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1110"},{"key":"ref112\/cit112","doi-asserted-by":"publisher","DOI":"10.1021\/jp1070852"},{"key":"ref113\/cit113","doi-asserted-by":"publisher","DOI":"10.1021\/om049521b"},{"key":"ref114\/cit114","doi-asserted-by":"publisher","DOI":"10.1063\/1.3503041"},{"key":"ref115\/cit115","doi-asserted-by":"publisher","DOI":"10.1063\/1.3521275"},{"key":"ref116\/cit116","doi-asserted-by":"publisher","DOI":"10.1063\/1.1390175"},{"key":"ref117\/cit117","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00352"},{"key":"ref118\/cit118","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00842"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.1c05124","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.1c05124","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T09:45:13Z","timestamp":1682502313000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.1c05124"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9,29]]},"references-count":118,"journal-issue":{"issue":"40","published-print":{"date-parts":[[2021,10,14]]}},"alternative-id":["10.1021\/acs.jpca.1c05124"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.1c05124","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,9,29]]}}}