{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,11]],"date-time":"2026-07-11T05:22:42Z","timestamp":1783747362893,"version":"3.55.0"},"reference-count":78,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T00:00:00Z","timestamp":1736812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T00:00:00Z","timestamp":1736812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T00:00:00Z","timestamp":1736812800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["23-015452"],"award-info":[{"award-number":["23-015452"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000105","name":"Office of Advanced Cyberinfrastructure","doi-asserted-by":"publisher","award":["MRI-2117449"],"award-info":[{"award-number":["MRI-2117449"]}],"id":[{"id":"10.13039\/100000105","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2025,1,23]]},"DOI":"10.1021\/acs.jpcb.4c07413","type":"journal-article","created":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T14:56:02Z","timestamp":1736866562000},"page":"1122-1134","source":"Crossref","is-referenced-by-count":3,"title":["Accurate Force Field for Carbon Dioxide\u2013Silica Interactions Based on Density Functional Theory"],"prefix":"10.1021","volume":"129","author":[{"given":"Sahan M.","family":"Godahewa","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thanuja","family":"Jayawardena","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3636-6448","authenticated-orcid":true,"given":"Ward H.","family":"Thompson","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4247-3362","authenticated-orcid":true,"given":"Jeffery A.","family":"Greathouse","sequence":"additional","affiliation":[{"name":"Nuclear Waste Disposal Research & Analysis Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,1,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemgeo.2014.04.007"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.1c00069"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.2c00130"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/jp001878f"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ar0200302"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/B812924J"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-anchem-070109-103410"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1063\/1.3679404"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.4896983"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.5057759"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.69.057102"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jp711964e"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jp205189g"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jp073698c"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jp209341q"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jp503739x"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1007\/s10450-021-00313-z"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1260\/026361705776316569"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.supflu.2018.10.011"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/la010061q"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.2202324"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1134\/S1054660X08120128"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1098\/rstb.2007.2185"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.earscirev.2021.103895"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ie020835d"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ie0498145"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.apcatb.2003.11.012"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp061592w"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/B808418A"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcis.2005.10.002"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.5b09000"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1039\/C7RA11746A"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.energyfuels.0c00052"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.3389\/fclim.2021.713708"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2017.02.008"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.9b07969"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.scitotenv.2023.168356"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.23939\/chcht17.02.253"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.9b00621"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10418"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b01565"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2012.758854"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2006.12.024"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.1610435"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2010.05.005"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b02208"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.1c07790"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.1c00943"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/5.0233395"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c01111"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2110077118"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.3c02270"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/j100031a034"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.47.558"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.5085394"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/5.0007128"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1039\/D0CP03679J"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2020.114496"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-022-00865-w"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1006\/jcph.1995.1039"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.447334"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.31.1695"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.467468"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(96)00043-4"},{"key":"ref68\/cit68","volume-title":"Experiments in Physical Chemistry","author":"Shoemaker D. P.","year":"1989"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/ja906190t"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.1c06580"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00996"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/jp0363287"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.1c04600"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/la062285k"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/la048571i"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.2434968"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1063\/1.463139"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.4c07413","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.4c07413","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,23]],"date-time":"2025-01-23T09:19:43Z","timestamp":1737623983000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcb.4c07413"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,14]]},"references-count":78,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2025,1,23]]}},"alternative-id":["10.1021\/acs.jpcb.4c07413"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.4c07413","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,14]]}}}