{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T09:15:02Z","timestamp":1763975702229,"version":"3.45.0"},"reference-count":83,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2025,10,29]],"date-time":"2025-10-29T00:00:00Z","timestamp":1761696000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,10,29]],"date-time":"2025-10-29T00:00:00Z","timestamp":1761696000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,10,29]],"date-time":"2025-10-29T00:00:00Z","timestamp":1761696000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100000923","name":"Australian Research Council","doi-asserted-by":"publisher","award":["DE230100978"],"award-info":[{"award-number":["DE230100978"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100015742","name":"Forrest Research Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100015742","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,11,24]]},"DOI":"10.1021\/acs.jcim.5c01682","type":"journal-article","created":{"date-parts":[[2025,10,29]],"date-time":"2025-10-29T09:59:52Z","timestamp":1761731992000},"page":"12410-12421","source":"Crossref","is-referenced-by-count":0,"title":["Computational Determination of p\n                    <i>K<\/i>\n                    <sub>a<\/sub>\n                    Values for Weak C\u2013H Acids\/Lithiated Species"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5453-4137","authenticated-orcid":true,"given":"Marcus","family":"Korb","sequence":"first","affiliation":[{"name":"School of Molecular Sciences, The University of Western Australia, 35 Stirling Highway, Crawley, Western Australia 6009, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xianming","family":"Liu","sequence":"additional","affiliation":[{"name":"Research Center for Materials, Architectures and Integration of Nanomembranes (MAIN), Research Group Organometallics, Technische Universit\u00e4t Chemnitz, Rosenbergstra\u00dfe 6, Chemnitz D-09126, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9744-7906","authenticated-orcid":true,"given":"Heinrich","family":"Lang","sequence":"additional","affiliation":[{"name":"Research Center for Materials, Architectures and Integration of Nanomembranes (MAIN), Research Group Organometallics, Technische Universit\u00e4t Chemnitz, Rosenbergstra\u00dfe 6, Chemnitz D-09126, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,10,29]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jct.2006.05.002"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"11999","DOI":"10.1021\/jp305876r","volume":"116","author":"Sutton C. C. R.","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c08283"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1002\/poc.3940"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.1c05510"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/rcm.8598"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC01424D"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24699"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.tet.2006.12.032"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b05040"},{"key":"ref11\/cit11a","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29061255"},{"key":"ref11\/cit11b","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27238590"},{"key":"ref11\/cit11c","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202303167"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-023-00763-3"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201300552"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.7b00659"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C5OB02172C"},{"key":"ref16\/cit16a","doi-asserted-by":"publisher","DOI":"10.1021\/ja980684z"},{"key":"ref16\/cit16b","doi-asserted-by":"publisher","DOI":"10.1021\/ja00072a028"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.81"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-17"},{"key":"ref19\/cit19a","doi-asserted-by":"publisher","DOI":"10.1063\/1.478522"},{"key":"ref19\/cit19b","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP00502A"},{"key":"ref19\/cit19c","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref19\/cit19d","doi-asserted-by":"publisher","DOI":"10.1039\/b515623h"},{"key":"ref19\/cit19e","doi-asserted-by":"publisher","DOI":"10.1007\/BF01114537"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jp054449w"},{"key":"ref21\/cit21a","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202205735"},{"key":"ref21\/cit21b","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2017.1333644"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00388"},{"key":"ref23\/cit23a","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.5c00022"},{"key":"ref23\/cit23b","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202403700"},{"key":"ref23\/cit23c","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202400930"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp050536c"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.8b00384"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201600766"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP03735B"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.1c00091"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1515\/zkri-2015-1911"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/s0022-328x(00)00181-9"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201704776"},{"key":"ref33\/cit33a","doi-asserted-by":"publisher","DOI":"10.1021\/om5002827"},{"key":"ref33\/cit33b","doi-asserted-by":"publisher","DOI":"10.1021\/om500953c"},{"key":"ref33\/cit33c","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201700645"},{"key":"ref33\/cit33d","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201801430"},{"key":"ref34\/cit34a","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.201000068"},{"key":"ref34\/cit34b","doi-asserted-by":"publisher","DOI":"10.1021\/om400339t"},{"key":"ref35\/cit35a","doi-asserted-by":"publisher","DOI":"10.1039\/C8CS00830B"},{"key":"ref35\/cit35b","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.7b00030"},{"key":"ref35\/cit35c","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.6b00157"},{"key":"ref35\/cit35d","doi-asserted-by":"publisher","DOI":"10.1016\/j.inoche.2016.07.017"},{"key":"ref35\/cit35e","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.202100946"},{"key":"ref36\/cit36a","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20823"},{"key":"ref36\/cit36b","doi-asserted-by":"publisher","DOI":"10.1080\/00958972.2022.2121650"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.tetasy.2005.07.018"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2017.03.020"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/om400564x"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/ja01084a018"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1039\/c29690000846"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/anie.199305681"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.200600282"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1039\/b822735g"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-328X(00)85702-2"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.ica.2005.05.040"},{"key":"ref47\/cit47a","doi-asserted-by":"publisher","DOI":"10.1063\/1.4773581"},{"key":"ref47\/cit47b","doi-asserted-by":"publisher","DOI":"10.1063\/1.4821834"},{"key":"ref47\/cit47c","doi-asserted-by":"publisher","DOI":"10.1063\/1.4939030"},{"key":"ref47\/cit47d","doi-asserted-by":"publisher","DOI":"10.1063\/1.4981521"},{"key":"ref47\/cit47e","doi-asserted-by":"publisher","DOI":"10.1063\/1.5011798"},{"key":"ref48\/cit48b","doi-asserted-by":"publisher","DOI":"10.1063\/1.1445115"},{"key":"ref48\/cit48c","doi-asserted-by":"publisher","DOI":"10.1039\/B415208E"},{"key":"ref48\/cit48d","doi-asserted-by":"publisher","DOI":"10.1063\/1.2826348"},{"key":"ref48\/cit48f","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref48\/cit48g","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-010-0764-0"},{"key":"ref48\/cit48h","doi-asserted-by":"publisher","DOI":"10.1063\/1.1998907"},{"key":"ref48\/cit48i","doi-asserted-by":"publisher","DOI":"10.1063\/1.2335444"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.2772854"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0250-5"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.4890314"},{"key":"ref52\/cit52a","doi-asserted-by":"publisher","DOI":"10.1063\/1.1569242"},{"key":"ref52\/cit52b","doi-asserted-by":"publisher","DOI":"10.1063\/1.1809602"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.5025226"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01682","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c01682","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T09:11:29Z","timestamp":1763975489000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c01682"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10,29]]},"references-count":83,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2025,11,24]]}},"alternative-id":["10.1021\/acs.jcim.5c01682"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c01682","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,10,29]]}}}