{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T01:33:54Z","timestamp":1791596034256,"version":"4.3.4"},"reference-count":217,"publisher":"AIP Publishing","issue":"2","funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["23K20830"],"award-info":[{"award-number":["23K20830"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006322","name":"Institute for Molecular Science","doi-asserted-by":"publisher","award":["23-IMS-C028"],"award-info":[{"award-number":["23-IMS-C028"]}],"id":[{"id":"10.13039\/501100006322","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2026,1,14]]},"abstract":"<jats:p>Clathrate hydrates are non-stoichiometric inclusion compounds with critical relevance to energy resources and CO2 sequestration, formed by guest molecules encapsulated in water cages. This perspective overviews the synergistic progress achieved through statistical mechanics and molecular simulation with intermolecular potential models in three key areas: thermodynamic stability, structural polymorphism, and dynamic processes. Theoretical estimation of its stability, originated from the van der Waals and Platteeuw theory, has been greatly improved by revisions accounting for constant pressure conditions, multiple occupancy, and host\u2013guest coupling, enabling accurate prediction of multi-phase coexistence. Novel hydrate and ice structures have been synthesized using new strategies. The Frank\u2013Kasper HS-I phase is unstable with small gas molecules, however, it was realized as a semiclathrate hydrate with an alkyl ammonium salt. We also discuss several possible strategies to form metastable ices, such as degassing of gas hydrates. The dynamic aspects have been investigated using molecular dynamics simulations. It was shown that dissociation kinetics are significantly influenced by guest concentration and bubble formation. Molecular dynamics simulations have also provided valuable insights into two types of low dosage hydrate inhibitors.<\/jats:p>","DOI":"10.1063\/5.0309340","type":"journal-article","created":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T11:53:43Z","timestamp":1767873223000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":4,"title":["Statistical mechanical theory and computational study on thermodynamic stability of clathrate hydrates"],"prefix":"10.1063","volume":"164","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4969-4715","authenticated-orcid":false,"given":"Takuma","family":"Yagasaki","sequence":"first","affiliation":[{"name":"Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University 1 , Osaka 560-8531,","place":["Japan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6799-6813","authenticated-orcid":false,"given":"Masakazu","family":"Matsumoto","sequence":"additional","affiliation":[{"name":"Research Institute for Interdisciplinary Science, Okayama University 2 , 3-1-1 Tsushima, Okayama 700-8530,","place":["Japan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2099-8990","authenticated-orcid":false,"given":"Hideki","family":"Tanaka","sequence":"additional","affiliation":[{"name":"Research Institute for Interdisciplinary Science, Okayama University 2 , 3-1-1 Tsushima, Okayama 700-8530,","place":["Japan"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,1,8]]},"reference":[{"key":"2026010806533074600_c1","volume-title":"Water\u2014A Comprehensive Treatise","year":"1973"},{"key":"2026010806533074600_c2","volume-title":"Clathrate Hydrates of Natural Gases","year":"2008"},{"key":"2026010806533074600_c3","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1098\/rstl.1811.0001","volume":"101","year":"1811","journal-title":"Philos. Trans. R. Soc."},{"key":"2026010806533074600_c4","doi-asserted-by":"crossref","first-page":"4112","DOI":"10.1021\/ef300280e","volume":"26","year":"2012","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c5","doi-asserted-by":"publisher","first-page":"477","DOI":"10.1146\/annurev.earth.28.1.477","volume":"28","year":"2000","journal-title":"Annu. Rev. Earth Planet. Sci."},{"key":"2026010806533074600_c6","doi-asserted-by":"publisher","first-page":"5048","DOI":"10.1002\/anie.200351489","volume":"42","year":"2003","journal-title":"Angew. Chem., Int. Ed."},{"key":"2026010806533074600_c7","doi-asserted-by":"publisher","first-page":"12690","DOI":"10.1073\/pnas.0602251103","volume":"103","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026010806533074600_c8","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1002\/9780470143483.ch1","volume":"2","year":"1959","journal-title":"Adv. Chem. Phys."},{"key":"2026010806533074600_c9","doi-asserted-by":"publisher","first-page":"493","DOI":"10.1086\/191050","volume":"58","year":"1985","journal-title":"Astrophys. J., Suppl. Ser."},{"key":"2026010806533074600_c10","doi-asserted-by":"publisher","first-page":"421","DOI":"10.1002\/9781118540350.ch17","volume":"152","year":"2013","journal-title":"Adv. Chem. Phys."},{"key":"2026010806533074600_c11","doi-asserted-by":"publisher","first-page":"4098","DOI":"10.1063\/1.465045","volume":"98","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c12","doi-asserted-by":"publisher","first-page":"27","DOI":"10.1016\/S0009-2509(02)00435-9","volume":"58","year":"2003","journal-title":"Chem. Eng. Sci."},{"key":"2026010806533074600_c13","doi-asserted-by":"publisher","first-page":"5488","DOI":"10.1063\/1.1782471","volume":"121","year":"2004","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c14","doi-asserted-by":"publisher","first-page":"054118","DOI":"10.1103\/physrevb.93.054118","volume":"93","year":"2016","journal-title":"Phys. Rev. B"},{"key":"2026010806533074600_c15","doi-asserted-by":"publisher","first-page":"224502","DOI":"10.1063\/5.0155143","volume":"158","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c16","doi-asserted-by":"publisher","first-page":"297","DOI":"10.1021\/acs.jpcb.7b10581","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c17","doi-asserted-by":"publisher","first-page":"194504","DOI":"10.1063\/5.0179655","volume":"159","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c18","doi-asserted-by":"publisher","first-page":"064507","DOI":"10.1063\/1.3466751","volume":"133","year":"2010","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c19","doi-asserted-by":"publisher","first-page":"10833","DOI":"10.1063\/1.467832","volume":"101","year":"1994","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c20","doi-asserted-by":"publisher","first-page":"135","DOI":"10.1038\/325135a0","volume":"325","year":"1987","journal-title":"Nature"},{"key":"2026010806533074600_c21","doi-asserted-by":"publisher","first-page":"8257","DOI":"10.1021\/jp203478z","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c22","doi-asserted-by":"publisher","first-page":"141","DOI":"10.1038\/332141a0","volume":"332","year":"1988","journal-title":"Nature"},{"key":"2026010806533074600_c23","doi-asserted-by":"publisher","first-page":"3150","DOI":"10.1103\/physrevlett.71.3150","volume":"71","year":"1993","journal-title":"Phys. Rev. Lett."},{"key":"2026010806533074600_c24","doi-asserted-by":"publisher","first-page":"115701","DOI":"10.1103\/physrevlett.104.115701","volume":"104","year":"2010","journal-title":"Phys. Rev. Lett."},{"key":"2026010806533074600_c25","doi-asserted-by":"publisher","first-page":"957","DOI":"10.1126\/science.1175074","volume":"325","year":"2009","journal-title":"Science"},{"key":"2026010806533074600_c26","doi-asserted-by":"publisher","first-page":"825","DOI":"10.1021\/ef050427x","volume":"20","year":"2006","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c27","doi-asserted-by":"publisher","first-page":"708","DOI":"10.1073\/pnas.0307449100","volume":"101","year":"2004","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026010806533074600_c28","doi-asserted-by":"publisher","first-page":"4827","DOI":"10.1021\/acs.energyfuels.5b00832","volume":"29","year":"2015","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c29","doi-asserted-by":"publisher","first-page":"353","DOI":"10.1038\/nature02135","volume":"426","year":"2003","journal-title":"Nature"},{"key":"2026010806533074600_c30","doi-asserted-by":"publisher","first-page":"565","DOI":"10.1002\/aic.11378","volume":"54","year":"2008","journal-title":"AIChE J."},{"key":"2026010806533074600_c31","doi-asserted-by":"publisher","first-page":"1996","DOI":"10.1039\/c2cs35340g","volume":"42","year":"2013","journal-title":"Chem. Soc. Rev."},{"key":"2026010806533074600_c32","volume-title":"Production Chemicals for the Oil and Gas Industry","year":"2014"},{"key":"2026010806533074600_c33","doi-asserted-by":"publisher","first-page":"114503","DOI":"10.1063\/1.3353953","volume":"132","year":"2010","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c34","doi-asserted-by":"publisher","first-page":"6070","DOI":"10.1063\/1.453481","volume":"87","year":"1987","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c35","doi-asserted-by":"publisher","first-page":"515","DOI":"10.1063\/1.1749327","volume":"1","year":"1933","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c36","doi-asserted-by":"publisher","first-page":"2680","DOI":"10.1021\/ja01315a102","volume":"57","year":"1935","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c37","doi-asserted-by":"publisher","first-page":"61","DOI":"10.1002\/jcc.25077","volume":"39","year":"2018","journal-title":"J.\u00a0Comput. Chem."},{"key":"2026010806533074600_c38","doi-asserted-by":"publisher","first-page":"2542","DOI":"10.1021\/acs.jcim.1c00440","volume":"61","year":"2021","journal-title":"J.\u00a0Chem. Inf. Model."},{"key":"2026010806533074600_c39","doi-asserted-by":"publisher","first-page":"7274","DOI":"10.1021\/jp068325a","volume":"111","year":"2007","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c40","doi-asserted-by":"publisher","first-page":"5775","DOI":"10.1021\/jp911032q","volume":"114","year":"2010","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c41","doi-asserted-by":"publisher","first-page":"12365","DOI":"10.1021\/acs.jpcc.5b01662","volume":"119","year":"2015","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c42","doi-asserted-by":"publisher","first-page":"7336","DOI":"10.1021\/acs.jpcb.7b03071","volume":"121","year":"2017","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c43","doi-asserted-by":"publisher","first-page":"074502","DOI":"10.1063\/1.5044568","volume":"149","year":"2018","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c44","doi-asserted-by":"publisher","first-page":"234511","DOI":"10.1063\/1.1931662","volume":"122","year":"2005","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c45","doi-asserted-by":"publisher","first-page":"8553","DOI":"10.1021\/acs.jpcb.2c04867","volume":"126","year":"2022","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c46","doi-asserted-by":"publisher","first-page":"184703","DOI":"10.1063\/5.0146618","volume":"158","year":"2023","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c47","doi-asserted-by":"publisher","first-page":"233","DOI":"10.1021\/cr60137a013","volume":"44","year":"1949","journal-title":"Chem. Rev."},{"key":"2026010806533074600_c48","volume-title":"Molecular Theory of Gases and Liquids","year":"1954"},{"key":"2026010806533074600_c49","doi-asserted-by":"publisher","first-page":"6638","DOI":"10.1021\/ja00334a030","volume":"106","year":"1984","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c50","doi-asserted-by":"publisher","first-page":"577","DOI":"10.1021\/jp410306v","volume":"118","year":"2014","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c51","doi-asserted-by":"publisher","first-page":"124505","DOI":"10.1063\/1.4916119","volume":"142","year":"2015","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c52","doi-asserted-by":"publisher","first-page":"3377","DOI":"10.1021\/ie000322b","volume":"39","year":"2000","journal-title":"Ind. Eng. Chem. Res."},{"key":"2026010806533074600_c53","doi-asserted-by":"publisher","first-page":"10950","DOI":"10.1021\/jp012292b","volume":"105","year":"2001","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c54","doi-asserted-by":"publisher","first-page":"5722","DOI":"10.1021\/jp0135914","volume":"106","year":"2002","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c55","doi-asserted-by":"publisher","first-page":"18705","DOI":"10.1021\/jp047448x","volume":"108","year":"2004","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c56","doi-asserted-by":"publisher","first-page":"371","DOI":"10.1016\/s0378-3812(01)00697-5","volume":"194\u2013197","year":"2002","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c57","doi-asserted-by":"publisher","first-page":"85","DOI":"10.1016\/s0378-3812(03)00155-9","volume":"211","year":"2003","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c58","doi-asserted-by":"publisher","first-page":"15","DOI":"10.1016\/j.fluid.2003.08.005","volume":"218","year":"2004","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c59","doi-asserted-by":"publisher","first-page":"257","DOI":"10.1016\/j.fluid.2003.11.004","volume":"216","year":"2004","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c60","doi-asserted-by":"publisher","first-page":"1930","DOI":"10.1021\/acs.jced.6b00146","volume":"61","year":"2016","journal-title":"J.\u00a0Chem. Eng. Data"},{"key":"2026010806533074600_c61","doi-asserted-by":"publisher","first-page":"25161","DOI":"10.1038\/s41598-025-10802-8","volume":"15","year":"2025","journal-title":"Sci. Rep."},{"key":"2026010806533074600_c62","doi-asserted-by":"publisher","first-page":"4887","DOI":"10.1063\/1.475897","volume":"108","year":"1998","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c63","doi-asserted-by":"publisher","first-page":"4188","DOI":"10.1021\/j100299a047","volume":"91","year":"1987","journal-title":"J.\u00a0Phys. Chem."},{"key":"2026010806533074600_c64","doi-asserted-by":"publisher","first-page":"6560","DOI":"10.1021\/jp970511g","volume":"101","year":"1997","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c65","doi-asserted-by":"publisher","first-page":"16434","DOI":"10.1021\/acs.jpcc.5c04644","volume":"129","year":"2025","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c66","doi-asserted-by":"publisher","first-page":"2247","DOI":"10.1126\/science.1075394","volume":"297","year":"2002","journal-title":"Science"},{"key":"2026010806533074600_c67","doi-asserted-by":"publisher","first-page":"125503","DOI":"10.1103\/physrevlett.93.125503","volume":"93","year":"2004","journal-title":"Phys. Rev. Lett."},{"key":"2026010806533074600_c68","doi-asserted-by":"publisher","first-page":"9602","DOI":"10.1021\/jp103619z","volume":"114","year":"2010","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c69","doi-asserted-by":"publisher","first-page":"142","DOI":"10.1038\/311142a0","volume":"311","year":"1984","journal-title":"Nature"},{"key":"2026010806533074600_c70","doi-asserted-by":"publisher","first-page":"978","DOI":"10.1103\/physreva.25.978","volume":"25","year":"1982","journal-title":"Phys. Rev. A"},{"key":"2026010806533074600_c71","doi-asserted-by":"publisher","first-page":"5852","DOI":"10.1063\/1.455536","volume":"89","year":"1988","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c72","doi-asserted-by":"publisher","first-page":"8110","DOI":"10.1063\/1.464567","volume":"98","year":"1993","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c73","doi-asserted-by":"publisher","first-page":"10250","DOI":"10.1021\/jp9917704","volume":"103","year":"1999","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c74","doi-asserted-by":"publisher","first-page":"14256","DOI":"10.1021\/jp205067v","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c75","doi-asserted-by":"publisher","first-page":"26406","DOI":"10.1021\/acs.jpcc.9b07608","volume":"123","year":"2019","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c76","doi-asserted-by":"publisher","first-page":"1567","DOI":"10.1029\/97gl01599","volume":"24","year":"1997","journal-title":"Geophys. Res. Lett."},{"key":"2026010806533074600_c77","doi-asserted-by":"publisher","first-page":"074503","DOI":"10.1063\/1.1850904","volume":"122","year":"2005","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c78","doi-asserted-by":"publisher","first-page":"214506","DOI":"10.1063\/1.3271341","volume":"131","year":"2009","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c79","doi-asserted-by":"publisher","first-page":"193","DOI":"10.1016\/j.fluid.2014.06.001","volume":"376","year":"2014","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c80","doi-asserted-by":"publisher","first-page":"78","DOI":"10.1021\/je60068a029","volume":"21","year":"1976","journal-title":"J.\u00a0Chem. Eng. Data"},{"key":"2026010806533074600_c81","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1021\/cr60306a003","volume":"77","year":"1977","journal-title":"Chem. Rev."},{"key":"2026010806533074600_c82","doi-asserted-by":"publisher","first-page":"575","DOI":"10.1063\/1.555905","volume":"20","year":"1991","journal-title":"J.\u00a0Phys. Chem. Ref. Data"},{"key":"2026010806533074600_c83","doi-asserted-by":"publisher","first-page":"2808","DOI":"10.1063\/1.1734110","volume":"39","year":"1963","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c84","doi-asserted-by":"publisher","first-page":"214503","DOI":"10.1063\/5.0244386","volume":"161","year":"2024","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c85","doi-asserted-by":"publisher","first-page":"263","DOI":"10.1016\/s0360-5442(96)00093-x","volume":"22","year":"1997","journal-title":"Energy"},{"key":"2026010806533074600_c86","doi-asserted-by":"publisher","first-page":"S307","DOI":"10.1016\/s0196-8904(96)00286-5","volume":"38","year":"1997","journal-title":"Energy Convers. Manage."},{"key":"2026010806533074600_c87","doi-asserted-by":"publisher","first-page":"87","DOI":"10.1021\/je0102255","volume":"47","year":"2002","journal-title":"J.\u00a0Chem. Eng. Data"},{"key":"2026010806533074600_c88","doi-asserted-by":"publisher","first-page":"154501","DOI":"10.1063\/5.0108738","volume":"157","year":"2022","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c89","doi-asserted-by":"publisher","first-page":"124504","DOI":"10.1063\/5.0294608","volume":"163","year":"2025","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c90","doi-asserted-by":"publisher","first-page":"34","DOI":"10.1070\/mc1997v007n01abeh000655","volume":"7","year":"1997","journal-title":"Mendeleev Commun."},{"key":"2026010806533074600_c91","doi-asserted-by":"publisher","first-page":"044502","DOI":"10.1063\/5.0188679","volume":"160","year":"2024","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c92","doi-asserted-by":"publisher","first-page":"044501","DOI":"10.1063\/1.4905572","volume":"142","year":"2015","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c93","doi-asserted-by":"publisher","first-page":"094506","DOI":"10.1063\/1.4929805","volume":"143","year":"2015","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c94","doi-asserted-by":"publisher","first-page":"23538","DOI":"10.1039\/c6cp04647a","volume":"18","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c95","doi-asserted-by":"publisher","first-page":"044509","DOI":"10.1063\/1.2751168","volume":"127","year":"2007","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c96","doi-asserted-by":"publisher","first-page":"14206","DOI":"10.1021\/jp805906c","volume":"112","year":"2008","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c97","doi-asserted-by":"publisher","first-page":"10294","DOI":"10.1021\/jp074706s","volume":"112","year":"2008","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c98","doi-asserted-by":"publisher","first-page":"521","DOI":"10.1021\/acsearthspacechem.7b00133","volume":"2","year":"2018","journal-title":"ACS Earth Space Chem."},{"key":"2026010806533074600_c99","doi-asserted-by":"publisher","first-page":"18432","DOI":"10.1021\/acs.jpcc.8b03657","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c100","doi-asserted-by":"publisher","first-page":"9724","DOI":"10.1021\/acs.jpcb.8b04551","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c101","doi-asserted-by":"publisher","first-page":"51","DOI":"10.1016\/j.supflu.2017.12.017","volume":"134","year":"2018","journal-title":"J.\u00a0Supercrit. Fluids"},{"key":"2026010806533074600_c102","doi-asserted-by":"publisher","first-page":"134503","DOI":"10.1063\/1.5084785","volume":"150","year":"2019","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c103","volume-title":"Computer Simulation and The Statistical Mechanics of Adsorption","year":"1982"},{"key":"2026010806533074600_c104","doi-asserted-by":"publisher","first-page":"064103","DOI":"10.1103\/physreve.110.064103","volume":"110","year":"2024","journal-title":"Phys. Rev. E"},{"key":"2026010806533074600_c105","doi-asserted-by":"publisher","first-page":"483","DOI":"10.1107\/s0365110x59001499","volume":"12","year":"1959","journal-title":"Acta Crystallogr."},{"key":"2026010806533074600_c106","doi-asserted-by":"publisher","first-page":"11481","DOI":"10.1021\/ja971206b","volume":"119","year":"1997","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c107","doi-asserted-by":"publisher","first-page":"6330","DOI":"10.1021\/jp403503d","volume":"117","year":"2013","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c108","doi-asserted-by":"publisher","first-page":"SA005","DOI":"10.1143\/jpsjs.81sa.sa005","volume":"81","year":"2012","journal-title":"J.\u00a0Phys. Soc. Jpn."},{"key":"2026010806533074600_c109","doi-asserted-by":"publisher","first-page":"eadp4384","DOI":"10.1126\/sciadv.adp4384","volume":"10","year":"2024","journal-title":"Sci. Adv."},{"key":"2026010806533074600_c110","doi-asserted-by":"publisher","first-page":"9195","DOI":"10.1021\/acs.jpcb.0c05238","volume":"124","year":"2020","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c111","doi-asserted-by":"publisher","first-page":"10667","DOI":"10.1021\/acs.energyfuels.2c01337","volume":"36","year":"2022","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c112","doi-asserted-by":"publisher","first-page":"3811","DOI":"10.1021\/j100162a068","volume":"95","year":"1991","journal-title":"J.\u00a0Phys. Chem."},{"key":"2026010806533074600_c113","doi-asserted-by":"publisher","first-page":"1834","DOI":"10.1016\/j.physa.2009.12.021","volume":"389","year":"2010","journal-title":"Physica A"},{"key":"2026010806533074600_c114","doi-asserted-by":"publisher","first-page":"255702","DOI":"10.1103\/physrevlett.125.255702","volume":"125","year":"2020","journal-title":"Phys. Rev. Lett."},{"key":"2026010806533074600_c115","doi-asserted-by":"publisher","first-page":"4898","DOI":"10.1021\/jp1122536","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c116","doi-asserted-by":"publisher","first-page":"S860","DOI":"10.1016\/j.jallcom.2010.12.200","volume":"509","year":"2011","journal-title":"J.\u00a0Alloys Compd."},{"key":"2026010806533074600_c117","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1070\/mc1999v009n05abeh001104","volume":"9","year":"1999","journal-title":"Mendeleev Commun."},{"key":"2026010806533074600_c118","doi-asserted-by":"publisher","first-page":"3161","DOI":"10.1038\/s41467-021-23403-6","volume":"12","year":"2021","journal-title":"Nat. Commun."},{"key":"2026010806533074600_c119","doi-asserted-by":"publisher","first-page":"224","DOI":"10.1080\/0889311x.2022.2127148","volume":"28","year":"2022","journal-title":"Crystallogr. Rev."},{"key":"2026010806533074600_c120","doi-asserted-by":"publisher","first-page":"231","DOI":"10.1038\/nature14014","volume":"516","year":"2014","journal-title":"Nature"},{"key":"2026010806533074600_c121","doi-asserted-by":"publisher","first-page":"13394","DOI":"10.1038\/ncomms13394","volume":"7","year":"2016","journal-title":"Nat. Commun."},{"key":"2026010806533074600_c122","doi-asserted-by":"publisher","first-page":"868","DOI":"10.1080\/08927022.2014.951642","volume":"41","year":"2015","journal-title":"Mol. Simul."},{"key":"2026010806533074600_c123","doi-asserted-by":"publisher","first-page":"149","DOI":"10.1080\/08957950008245902","volume":"17","year":"2000","journal-title":"High Pressure Res."},{"key":"2026010806533074600_c124","doi-asserted-by":"publisher","first-page":"251","DOI":"10.1038\/s41586-019-1114-6","volume":"569","year":"2019","journal-title":"Nature"},{"key":"2026010806533074600_c125","doi-asserted-by":"publisher","first-page":"49","DOI":"10.1023\/a:1018855100341","volume":"376","year":"2001","journal-title":"Dokl. Phys. Chem."},{"key":"2026010806533074600_c126","doi-asserted-by":"publisher","first-page":"034510","DOI":"10.1063\/1.3182727","volume":"131","year":"2009","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c127","doi-asserted-by":"publisher","first-page":"349","DOI":"10.2183\/pjab.81.349","volume":"81","year":"2005","journal-title":"Proc. Jpn. Acad., Ser. B"},{"key":"2026010806533074600_c128","doi-asserted-by":"publisher","first-page":"1128","DOI":"10.1038\/s41467-021-21161-z","volume":"12","year":"2021","journal-title":"Nat. Commun."},{"key":"2026010806533074600_c129","doi-asserted-by":"publisher","first-page":"1129","DOI":"10.1038\/s41467-021-21351-9","volume":"12","year":"2021","journal-title":"Nat. Commun."},{"key":"2026010806533074600_c130","doi-asserted-by":"publisher","first-page":"648","DOI":"10.1063\/1.2967511","volume":"34","year":"2008","journal-title":"Low Temp. Phys."},{"key":"2026010806533074600_c131","doi-asserted-by":"publisher","first-page":"19951","DOI":"10.1039\/c1cp21899a","volume":"13","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c132","doi-asserted-by":"publisher","first-page":"19305","DOI":"10.1073\/pnas.1906502116","volume":"116","year":"2019","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026010806533074600_c133","doi-asserted-by":"publisher","first-page":"24166","DOI":"10.1021\/jacs.3c08246","volume":"145","year":"2023","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c134","doi-asserted-by":"publisher","first-page":"1843","DOI":"10.1021\/acs.jpcb.5b09544","volume":"120","year":"2016","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c135","doi-asserted-by":"publisher","first-page":"091101","DOI":"10.1063\/1.4994757","volume":"147","year":"2017","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c136","doi-asserted-by":"publisher","first-page":"7209","DOI":"10.1039\/c3ce41661e","volume":"16","year":"2014","journal-title":"CrystEngComm"},{"key":"2026010806533074600_c137","doi-asserted-by":"publisher","first-page":"16486","DOI":"10.1021\/acs.jpcc.9b04476","volume":"123","year":"2019","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c138","doi-asserted-by":"publisher","first-page":"125212","DOI":"10.1103\/physrevb.68.125212","volume":"68","year":"2003","journal-title":"Phys. Rev. B"},{"key":"2026010806533074600_c139","doi-asserted-by":"publisher","first-page":"56","DOI":"10.1021\/ic990778p","volume":"39","year":"2000","journal-title":"Inorg. Chem."},{"key":"2026010806533074600_c140","doi-asserted-by":"publisher","first-page":"040804","DOI":"10.1063\/1.4953165","volume":"3","year":"2016","journal-title":"Appl. Phys. Rev."},{"key":"2026010806533074600_c141","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1016\/j.carbon.2016.04.038","volume":"105","year":"2016","journal-title":"Carbon"},{"key":"2026010806533074600_c142","doi-asserted-by":"publisher","first-page":"196","DOI":"10.1038\/ncomms1196","volume":"2","year":"2011","journal-title":"Nat. Commun."},{"key":"2026010806533074600_c143","doi-asserted-by":"publisher","first-page":"8597","DOI":"10.1039\/b916367k","volume":"12","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c144","doi-asserted-by":"publisher","first-page":"6458","DOI":"10.1021\/ja201403q","volume":"133","year":"2011","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c145","doi-asserted-by":"publisher","first-page":"1900","DOI":"10.1021\/jp412692d","volume":"118","year":"2014","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c146","doi-asserted-by":"publisher","first-page":"144703","DOI":"10.1063\/1.3382341","volume":"132","year":"2010","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c147","doi-asserted-by":"publisher","first-page":"044523","DOI":"10.1063\/1.3679860","volume":"136","year":"2012","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c148","doi-asserted-by":"publisher","first-page":"114","DOI":"10.1016\/j.fluid.2013.08.017","volume":"358","year":"2013","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c149","doi-asserted-by":"publisher","first-page":"1971","DOI":"10.1021\/jp410789j","volume":"118","year":"2014","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026010806533074600_c150","doi-asserted-by":"publisher","first-page":"244503","DOI":"10.1063\/1.2138697","volume":"123","year":"2005","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c151","doi-asserted-by":"publisher","first-page":"1913","DOI":"10.1021\/jp807208z","volume":"113","year":"2009","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026010806533074600_c152","doi-asserted-by":"publisher","first-page":"6102","DOI":"10.1021\/jp110868t","volume":"115","year":"2011","journal-title":"J.\u00a0Phys. Chem. A"},{"key":"2026010806533074600_c153","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1111\/j.1749-6632.1994.tb38833.x","volume":"715","year":"1994","journal-title":"Ann. N. Y. Acad. Sci."},{"key":"2026010806533074600_c154","doi-asserted-by":"publisher","first-page":"3188","DOI":"10.1021\/jp2086544","volume":"116","year":"2012","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c155","doi-asserted-by":"publisher","first-page":"326","DOI":"10.1016\/0378-3812(95)02903-6","volume":"116","year":"1996","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c156","doi-asserted-by":"publisher","first-page":"1318","DOI":"10.1021\/acs.jpcc.7b08808","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c157","doi-asserted-by":"publisher","first-page":"467","DOI":"10.1016\/s1472-7862(03)00070-4","volume":"2","year":"2002","journal-title":"J.\u00a0Supramol. Chem."},{"key":"2026010806533074600_c158","doi-asserted-by":"publisher","first-page":"11797","DOI":"10.1021\/jp507978u","volume":"118","year":"2014","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c159","doi-asserted-by":"publisher","first-page":"32347","DOI":"10.1039\/c5cp03008k","volume":"17","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c160","doi-asserted-by":"publisher","first-page":"114614","DOI":"10.1016\/j.molliq.2020.114614","volume":"323","year":"2021","journal-title":"J.\u00a0Mol. Liq."},{"key":"2026010806533074600_c161","doi-asserted-by":"publisher","first-page":"128230","DOI":"10.1016\/j.fuel.2023.128230","volume":"345","year":"2023","journal-title":"Fuel"},{"key":"2026010806533074600_c162","doi-asserted-by":"publisher","first-page":"127650","DOI":"10.1016\/j.fuel.2023.127650","volume":"341","year":"2023","journal-title":"Fuel"},{"key":"2026010806533074600_c163","doi-asserted-by":"publisher","first-page":"104703","DOI":"10.1063\/5.0220841","volume":"161","year":"2024","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c164","doi-asserted-by":"publisher","first-page":"214701","DOI":"10.1063\/1.4920971","volume":"142","year":"2015","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c165","doi-asserted-by":"publisher","first-page":"21512","DOI":"10.1021\/acs.jpcc.6b06498","volume":"120","year":"2016","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c166","doi-asserted-by":"publisher","first-page":"6216","DOI":"10.1021\/acs.energyfuels.2c00978","volume":"36","year":"2022","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c167","doi-asserted-by":"publisher","first-page":"116106","DOI":"10.1016\/j.fuel.2019.116106","volume":"258","year":"2019","journal-title":"Fuel"},{"key":"2026010806533074600_c168","doi-asserted-by":"publisher","first-page":"133098","DOI":"10.1016\/j.cej.2021.133098","volume":"430","year":"2022","journal-title":"Chem. Eng. J."},{"key":"2026010806533074600_c169","doi-asserted-by":"publisher","first-page":"122129","DOI":"10.1016\/j.molliq.2023.122129","volume":"383","year":"2023","journal-title":"J.\u00a0Mol. Liq."},{"key":"2026010806533074600_c170","doi-asserted-by":"publisher","first-page":"134126","DOI":"10.1016\/j.fuel.2024.134126","volume":"385","year":"2025","journal-title":"Fuel"},{"key":"2026010806533074600_c171","doi-asserted-by":"publisher","first-page":"258","DOI":"10.1016\/s0022-0248(97)00118-8","volume":"179","year":"1997","journal-title":"J.\u00a0Cryst. Growth"},{"key":"2026010806533074600_c172","doi-asserted-by":"publisher","first-page":"353","DOI":"10.1016\/s0378-3812(98)00335-5","volume":"150\u2013151","year":"1998","journal-title":"Fluid Phase Equilib."},{"key":"2026010806533074600_c173","doi-asserted-by":"publisher","first-page":"3449","DOI":"10.1039\/ft9959103449","volume":"91","year":"1995","journal-title":"J.\u00a0Chem. Soc., Faraday Trans."},{"key":"2026010806533074600_c174","doi-asserted-by":"publisher","first-page":"5029","DOI":"10.1039\/ft9969205029","volume":"92","year":"1996","journal-title":"J.\u00a0Chem. Soc., Faraday Trans."},{"key":"2026010806533074600_c175","doi-asserted-by":"publisher","first-page":"12079","DOI":"10.1021\/jacs.5b07417","volume":"137","year":"2015","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c176","doi-asserted-by":"publisher","first-page":"869","DOI":"10.1021\/j100395a005","volume":"86","year":"1982","journal-title":"J.\u00a0Phys. Chem."},{"key":"2026010806533074600_c177","doi-asserted-by":"publisher","first-page":"5066","DOI":"10.1021\/ja00169a011","volume":"112","year":"1990","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"2026010806533074600_c178","doi-asserted-by":"publisher","first-page":"640","DOI":"10.1038\/nature04162","volume":"437","year":"2005","journal-title":"Nature"},{"key":"2026010806533074600_c179","doi-asserted-by":"publisher","first-page":"3224","DOI":"10.1021\/acs.jpclett.8b01210","volume":"9","year":"2018","journal-title":"J.\u00a0Phys. Chem. Lett."},{"key":"2026010806533074600_c180","doi-asserted-by":"publisher","first-page":"2589","DOI":"10.1073\/pnas.74.6.2589","volume":"74","year":"1977","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026010806533074600_c181","doi-asserted-by":"publisher","first-page":"690","DOI":"10.1038\/pj.2012.13","volume":"44","year":"2012","journal-title":"Polym. J."},{"key":"2026010806533074600_c182","doi-asserted-by":"publisher","first-page":"3740","DOI":"10.1073\/pnas.1524109113","volume":"113","year":"2016","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026010806533074600_c183","doi-asserted-by":"publisher","first-page":"1712","DOI":"10.1021\/acs.jpclett.8b00300","volume":"9","year":"2018","journal-title":"J.\u00a0Phys. Chem. Lett."},{"key":"2026010806533074600_c184","doi-asserted-by":"publisher","first-page":"3396","DOI":"10.1021\/acs.jpcb.7b10356","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c185","doi-asserted-by":"publisher","first-page":"3124","DOI":"10.1021\/ie970902h","volume":"37","year":"1998","journal-title":"Ind. Eng. Chem. Res."},{"key":"2026010806533074600_c186","doi-asserted-by":"publisher","first-page":"1806","DOI":"10.1021\/acs.jpcc.8b09834","volume":"123","year":"2019","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c187","doi-asserted-by":"publisher","first-page":"4979","DOI":"10.1021\/acs.cgd.1c00421","volume":"21","year":"2021","journal-title":"Cryst. Growth Des."},{"key":"2026010806533074600_c188","doi-asserted-by":"publisher","first-page":"1160","DOI":"10.1021\/ef201849t","volume":"26","year":"2012","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c189","doi-asserted-by":"publisher","first-page":"5000","DOI":"10.1021\/acs.cgd.0c00126","volume":"20","year":"2020","journal-title":"Cryst. Growth Des."},{"key":"2026010806533074600_c190","doi-asserted-by":"publisher","first-page":"151440","DOI":"10.1016\/j.cej.2024.151440","volume":"490","year":"2024","journal-title":"Chem. Eng. J."},{"key":"2026010806533074600_c191","doi-asserted-by":"publisher","first-page":"19796","DOI":"10.1039\/c1cp21907c","volume":"13","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c192","doi-asserted-by":"publisher","first-page":"2673","DOI":"10.1021\/acs.jpcc.7b09573","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c193","doi-asserted-by":"publisher","first-page":"820","DOI":"10.1021\/acscentsci.8b00076","volume":"4","year":"2018","journal-title":"ACS Cent. Sci."},{"key":"2026010806533074600_c194","doi-asserted-by":"publisher","first-page":"12839","DOI":"10.1021\/acs.jpcc.8b03154","volume":"122","year":"2018","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c195","doi-asserted-by":"publisher","first-page":"2118","DOI":"10.1021\/ef8009876","volume":"23","year":"2009","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c196","doi-asserted-by":"publisher","first-page":"2555","DOI":"10.1021\/acs.energyfuels.5b02433","volume":"30","year":"2016","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c197","doi-asserted-by":"publisher","first-page":"428","DOI":"10.1021\/acscentsci.8b00755","volume":"5","year":"2019","journal-title":"ACS Cent. Sci."},{"key":"2026010806533074600_c198","doi-asserted-by":"publisher","first-page":"094703","DOI":"10.1063\/5.0100260","volume":"157","year":"2022","journal-title":"J.\u00a0Chem. Phys."},{"key":"2026010806533074600_c199","doi-asserted-by":"publisher","first-page":"24859","DOI":"10.1039\/c6cp03296f","volume":"18","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c200","doi-asserted-by":"publisher","first-page":"1487","DOI":"10.1021\/acs.jpcb.0c08969","volume":"125","year":"2021","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c201","doi-asserted-by":"publisher","first-page":"125641","DOI":"10.1016\/j.molliq.2024.125641","volume":"410","year":"2024","journal-title":"J.\u00a0Mol. Liq."},{"key":"2026010806533074600_c202","doi-asserted-by":"publisher","first-page":"164733","DOI":"10.1016\/j.cej.2025.164733","volume":"518","year":"2025","journal-title":"Chem. Eng. J."},{"key":"2026010806533074600_c203","doi-asserted-by":"publisher","first-page":"179686","DOI":"10.1016\/j.scitotenv.2025.179686","volume":"983","year":"2025","journal-title":"Sci. Total Environ."},{"key":"2026010806533074600_c204","doi-asserted-by":"publisher","first-page":"9984","DOI":"10.1039\/c4cp05003g","volume":"17","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026010806533074600_c205","doi-asserted-by":"publisher","first-page":"4256","DOI":"10.1021\/acssuschemeng.9b07701","volume":"8","year":"2020","journal-title":"ACS Sustainable Chem. Eng."},{"key":"2026010806533074600_c206","doi-asserted-by":"publisher","first-page":"121008","DOI":"10.1016\/j.molliq.2022.121008","volume":"370","year":"2023","journal-title":"J.\u00a0Mol. Liq."},{"key":"2026010806533074600_c207","doi-asserted-by":"publisher","first-page":"6153","DOI":"10.1021\/acssuschemeng.2c06242","volume":"11","year":"2023","journal-title":"ACS Sustainable Chem. Eng."},{"key":"2026010806533074600_c208","doi-asserted-by":"publisher","first-page":"17239","DOI":"10.1021\/acs.jpcc.9b01952","volume":"123","year":"2019","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c209","doi-asserted-by":"publisher","first-page":"18983","DOI":"10.1021\/acs.jpcc.0c03251","volume":"124","year":"2020","journal-title":"J.\u00a0Phys. Chem. C"},{"key":"2026010806533074600_c210","doi-asserted-by":"publisher","first-page":"3628","DOI":"10.1021\/acs.energyfuels.2c00347","volume":"36","year":"2022","journal-title":"Energy Fuels"},{"key":"2026010806533074600_c211","doi-asserted-by":"publisher","first-page":"891","DOI":"10.1016\/0021-9614(86)90124-2","volume":"18","year":"1986","journal-title":"J.\u00a0Chem. Thermodyn."},{"key":"2026010806533074600_c212","volume-title":"Physics and Chemistry of Ice","year":"1992"},{"key":"2026010806533074600_c213","doi-asserted-by":"publisher","first-page":"1756","DOI":"10.1021\/jp003061s","volume":"105","year":"2001","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c214","doi-asserted-by":"publisher","first-page":"4008","DOI":"10.1021\/jp805227c","volume":"113","year":"2009","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c215","doi-asserted-by":"publisher","first-page":"10298","DOI":"10.1021\/jp903439a","volume":"113","year":"2009","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"2026010806533074600_c216","doi-asserted-by":"publisher","first-page":"1095","DOI":"10.1126\/science.1174010","volume":"326","year":"2009","journal-title":"Science"},{"key":"2026010806533074600_c217","doi-asserted-by":"publisher","first-page":"134708","DOI":"10.1063\/5.0252152","volume":"162","year":"2025","journal-title":"J.\u00a0Chem. Phys."}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0309340\/20863446\/020901_1_5.0309340.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/5.0309340\/20863446\/020901_1_5.0309340.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T11:53:46Z","timestamp":1767873226000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/164\/2\/020901\/3376952\/Statistical-mechanical-theory-and-computational"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,8]]},"references-count":217,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2026,1,14]]}},"URL":"https:\/\/doi.org\/10.1063\/5.0309340","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2026,1,14]]},"published":{"date-parts":[[2026,1,8]]},"article-number":"020901"}}