{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T18:12:54Z","timestamp":1760551974414,"version":"3.37.3"},"reference-count":77,"publisher":"Royal Society of Chemistry (RSC)","issue":"19","license":[{"start":{"date-parts":[[2024,5,4]],"date-time":"2024-05-04T00:00:00Z","timestamp":1714780800000},"content-version":"am","delay-in-days":489,"URL":"http:\/\/rsc.li\/journals-terms-of-use#chorus"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE-1762452","MRI-1228232"],"award-info":[{"award-number":["CHE-1762452","MRI-1228232"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["LA\/P\/0056\/2020","UIDB\/00081\/2020"],"award-info":[{"award-number":["LA\/P\/0056\/2020","UIDB\/00081\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Energetic analyses based on homodesmotic reactions show a surprising ability of crowded biphenyls to achieve significant stabilization through intramolecular dispersive interactions, which is underestimated even by state-of-the-art DFT calculations.<\/jats:p>","DOI":"10.1039\/d2cp05085d","type":"journal-article","created":{"date-parts":[[2023,5,4]],"date-time":"2023-05-04T15:41:34Z","timestamp":1683214894000},"page":"13359-13375","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?"],"prefix":"10.1039","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5065-0912","authenticated-orcid":false,"given":"Carlos F.","family":"R. A. C. Lima","sequence":"first","affiliation":[{"name":"CIQUP, Institute of Molecular Sciences (IMS), Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, rua do Campo Alegre s\/n, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3488-1945","authenticated-orcid":false,"given":"Joel T.","family":"Mague","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Tulane University, New Orleans, LA 70118, USA"}]},{"given":"Yuchen","family":"Du","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Tulane University, New Orleans, LA 70118, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5637-2362","authenticated-orcid":false,"given":"Robert A.","family":"Pascal","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Tulane University, New Orleans, LA 70118, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3040-0358","authenticated-orcid":false,"given":"Lu\u00eds M. N. B. F.","family":"Santos","sequence":"additional","affiliation":[{"name":"CIQUP, Institute of Molecular Sciences (IMS), Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, rua do Campo Alegre s\/n, 4169-007 Porto, Portugal"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D2CP05085D\/cit1\/1","doi-asserted-by":"crossref","first-page":"3354","DOI":"10.1021\/jo01021a022","volume":"30","author":"Ogliaruso","year":"1965","journal-title":"J. Org. Chem."},{"key":"D2CP05085D\/cit2\/1","doi-asserted-by":"crossref","first-page":"6000","DOI":"10.1021\/ja980322r","volume":"120","author":"Tong","year":"1998","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP05085D\/cit3\/1","doi-asserted-by":"crossref","first-page":"3294","DOI":"10.1002\/ejoc.202100399","author":"Du","year":"2021","journal-title":"Eur. J. Org. Chem."},{"key":"D2CP05085D\/cit4\/1","doi-asserted-by":"crossref","first-page":"e202200931","DOI":"10.1002\/chem.202200931","volume":"28","author":"Du","year":"2022","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP05085D\/cit5\/1","doi-asserted-by":"crossref","first-page":"3549","DOI":"10.1016\/S0040-4020(01)00238-1","volume":"57","author":"Pascal, Jr.","year":"2001","journal-title":"Tetrahedron"},{"key":"D2CP05085D\/cit6\/1","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1021\/ja953669s","volume":"118","author":"Qiao","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP05085D\/cit7\/1","doi-asserted-by":"crossref","first-page":"8458","DOI":"10.1002\/chem.202001563","volume":"26","author":"Xiao","year":"2020","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP05085D\/cit8\/1","doi-asserted-by":"crossref","first-page":"2831","DOI":"10.1002\/anie.201812418","volume":"58","author":"Xiao","year":"2019","journal-title":"Angew. Chem., Int. Ed."},{"issue":"48","key":"D2CP05085D\/cit9\/1","first-page":"44","volume":"97","author":"Arnaud","year":"2019","journal-title":"Chem. Eng. News"},{"key":"D2CP05085D\/cit10\/1","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.1021\/cr970073+","volume":"99","author":"Berresheim","year":"1999","journal-title":"Chem. Rev."},{"key":"D2CP05085D\/cit11\/1","doi-asserted-by":"crossref","first-page":"11672","DOI":"10.1039\/D1RA00217A","volume":"11","author":"Devibala","year":"2021","journal-title":"RSC Adv."},{"key":"D2CP05085D\/cit12\/1","doi-asserted-by":"crossref","first-page":"1670","DOI":"10.1002\/chem.202004273","volume":"27","author":"Dusold","year":"2021","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP05085D\/cit13\/1","doi-asserted-by":"crossref","first-page":"590","DOI":"10.1246\/cl.2007.590","volume":"36","author":"Soichi","year":"2007","journal-title":"Chem. Lett."},{"key":"D2CP05085D\/cit14\/1","doi-asserted-by":"crossref","first-page":"1337","DOI":"10.1021\/acs.accounts.2c00116","volume":"55","author":"Mears","year":"2022","journal-title":"Acc. Chem. Res."},{"key":"D2CP05085D\/cit15\/1","doi-asserted-by":"crossref","first-page":"0004","DOI":"10.1038\/s41570-016-0004","volume":"1","author":"Liptrot","year":"2017","journal-title":"Nat. Rev. Chem."},{"key":"D2CP05085D\/cit16\/1","doi-asserted-by":"crossref","first-page":"12274","DOI":"10.1002\/anie.201503476","volume":"54","author":"Wagner","year":"2015","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP05085D\/cit17\/1","doi-asserted-by":"crossref","first-page":"12639","DOI":"10.1002\/anie.201103615","volume":"50","author":"Grimme","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP05085D\/cit18\/1","doi-asserted-by":"crossref","first-page":"5385","DOI":"10.1021\/acs.cgd.8b00783","volume":"18","author":"Mitoraj","year":"2018","journal-title":"Cryst. Growth Des."},{"key":"D2CP05085D\/cit19\/1","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/chem.200801056","volume":"15","author":"Li","year":"2009","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP05085D\/cit20\/1","doi-asserted-by":"crossref","first-page":"977","DOI":"10.1016\/S0006-3495(96)79641-8","volume":"70","author":"Roth","year":"1996","journal-title":"Biophys. J."},{"key":"D2CP05085D\/cit21\/1","doi-asserted-by":"crossref","first-page":"1677","DOI":"10.1021\/acschembio.9b00339","volume":"14","author":"Newberry","year":"2019","journal-title":"ACS Chem. Biol."},{"key":"D2CP05085D\/cit22\/1","doi-asserted-by":"crossref","first-page":"5105","DOI":"10.1021\/acs.chemrev.5b00533","volume":"116","author":"Grimme","year":"2016","journal-title":"Chem. Rev."},{"key":"D2CP05085D\/cit23\/1","doi-asserted-by":"crossref","first-page":"11176","DOI":"10.1039\/c1dt10867k","volume":"40","author":"Ryde","year":"2011","journal-title":"Dalton Trans."},{"key":"D2CP05085D\/cit24a\/1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D2CP05085D\/cit24b\/1","doi-asserted-by":"crossref","first-page":"13244","DOI":"10.1103\/PhysRevB.45.13244","volume":"45","author":"Perdew","year":"1992","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP05085D\/cit25\/1","first-page":"63","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre","year":"1986","unstructured":"W. J.Hehre , L.Radom , P. V. R.Schleyer and J. A.Pople , Ab Initio Molecular Orbital Theory , John Wiley & Sons , New York , 1986 , pp. 63\u2013100"},{"key":"D2CP05085D\/cit26\/1","doi-asserted-by":"crossref","first-page":"32184","DOI":"10.1039\/C7CP04913G","volume":"19","author":"Goerigk","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP05085D\/cit27\/1","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1021\/ct0502763","volume":"2","author":"Zhao","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"D2CP05085D\/cit28\/1","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D2CP05085D\/cit29\/1","doi-asserted-by":"crossref","first-page":"5656","DOI":"10.1021\/jp050536c","volume":"109","author":"Zhao","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit30\/1","doi-asserted-by":"crossref","first-page":"154101","DOI":"10.1063\/1.2065267","volume":"123","author":"Becke","year":"2005","journal-title":"J. Chem. Phys."},{"key":"D2CP05085D\/cit31\/1","doi-asserted-by":"crossref","first-page":"2475","DOI":"10.1021\/acs.jpca.7b00579","volume":"121","author":"Lima","year":"2017","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit32\/1","doi-asserted-by":"crossref","first-page":"1855","DOI":"10.1063\/1.2955570","volume":"37","author":"Roux","year":"2008","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"D2CP05085D\/cit33\/1","doi-asserted-by":"crossref","first-page":"1051","DOI":"10.1039\/f19767201051","volume":"72","author":"Ha","year":"1976","journal-title":"J. Chem. Soc., Faraday Trans. 1"},{"key":"D2CP05085D\/cit34\/1","doi-asserted-by":"crossref","first-page":"1307","DOI":"10.1016\/0021-9614(89)90119-5","volume":"21","author":"Chirico","year":"1989","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit35\/1","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1016\/j.jct.2009.07.022","volume":"42","author":"Ribeiro da Silva","year":"2010","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit37\/1","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1248\/cpb.33.22","volume":"33","author":"Fujioka","year":"1985","journal-title":"Chem. Pharm. Bull."},{"key":"D2CP05085D\/cit38\/1","doi-asserted-by":"crossref","first-page":"2778","DOI":"10.1016\/j.tet.2019.03.055","volume":"75","author":"Nguyen","year":"2019","journal-title":"Tetrahedron"},{"key":"D2CP05085D\/cit39\/1","first-page":"104","volume-title":"The Covalent Link in Chemistry","author":"Sidgwick","year":"1933","unstructured":"N. V.Sidgwick , The Covalent Link in Chemistry , Cornell University Press , Ithaca, NY , 1933 , p. 104"},{"key":"D2CP05085D\/cit40\/1","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/S0040-6031(97)00433-4","volume":"313","author":"Chickos","year":"1998","journal-title":"Thermochim. Acta"},{"key":"D2CP05085D\/cit41\/1","doi-asserted-by":"crossref","first-page":"11876","DOI":"10.1021\/jp207593s","volume":"115","author":"Lima","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit42\/1","doi-asserted-by":"crossref","first-page":"2872","DOI":"10.1021\/ct100326h","volume":"6","author":"Alecu","year":"2010","journal-title":"J. Chem. Theory Comput."},{"key":"D2CP05085D\/cit43\/1","doi-asserted-by":"crossref","first-page":"648","DOI":"10.1021\/cg9010746","volume":"10","author":"Gagnon","year":"2010","journal-title":"Cryst. Growth Des."},{"key":"D2CP05085D\/cit44\/1","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1016\/j.jct.2007.08.008","volume":"40","author":"Ribeiro da Silva","year":"2008","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit45\/1","doi-asserted-by":"crossref","first-page":"4501","DOI":"10.1021\/ac100417h","volume":"82","author":"R\u00fchle","year":"2010","journal-title":"Anal. Chem."},{"volume-title":"CODATA Key Values for Thermodynamics","year":"1989","key":"D2CP05085D\/cit46\/1","unstructured":"CODATA Key Values for Thermodynamics , ed. J. D. Cox , D. D. Wagman and V. A. Medvedev , Hemisphere , New York , 1989"},{"key":"D2CP05085D\/cit47\/1","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1016\/0021-9614(80)90042-7","volume":"12","author":"Kruif","year":"1980","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit48\/1","doi-asserted-by":"crossref","first-page":"8934","DOI":"10.1002\/chem.201201056","volume":"18","author":"Lima","year":"2012","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP05085D\/cit49\/1","doi-asserted-by":"crossref","first-page":"10656","DOI":"10.1021\/jp0610416","volume":"110","author":"Sinnokrot","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit50\/1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1039\/b008495f","author":"Hunter","year":"2001","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"D2CP05085D\/cit51\/1","first-page":"149","volume-title":"Struct. Bonding","author":"Tsuzuki","year":"2005","unstructured":"S.Tsuzuki , Interactions with Aromatic Rings , Struct. Bonding , Springer-Verlag , Berlin\/Heidelberg , 2005 , vol. 115, pp. 149\u2013193"},{"key":"D2CP05085D\/cit52\/1","doi-asserted-by":"crossref","first-page":"420","DOI":"10.1021\/acscentsci.0c00005","volume":"6","author":"Ninkovi\u0107","year":"2020","journal-title":"ACS Cent. Sci."},{"key":"D2CP05085D\/cit53\/1","doi-asserted-by":"crossref","first-page":"4358","DOI":"10.1039\/C5SC01370D","volume":"6","author":"Hwang","year":"2015","journal-title":"Chem. Sci."},{"key":"D2CP05085D\/cit54\/1","doi-asserted-by":"crossref","first-page":"10200","DOI":"10.1021\/jp0469517","volume":"108","author":"Sinnokrot","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit55\/1","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1021\/ja0105212","volume":"124","author":"Tsuzuki","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP05085D\/cit56\/1","doi-asserted-by":"crossref","first-page":"3446","DOI":"10.1021\/jp068635t","volume":"111","author":"Lee","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05085D\/cit57\/1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"D2CP05085D\/cit58\/1","first-page":"211","volume":"1","author":"Grimme","year":"2011","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D2CP05085D\/cit59\/1","doi-asserted-by":"crossref","first-page":"3944","DOI":"10.1021\/ct2005616","volume":"7","author":"Marom","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"D2CP05085D\/cit60\/1","doi-asserted-by":"crossref","first-page":"916","DOI":"10.1021\/ar3000844","volume":"46","author":"Ehrlich","year":"2013","journal-title":"Acc. Chem. Res."},{"key":"D2CP05085D\/cit61\/1","doi-asserted-by":"crossref","first-page":"161102","DOI":"10.1063\/1.4707166","volume":"136","author":"Podeszwa","year":"2012","journal-title":"J. Chem. Phys."},{"key":"D2CP05085D\/cit62\/1","doi-asserted-by":"crossref","first-page":"5287","DOI":"10.1039\/b612585a","volume":"8","author":"Antony","year":"2006","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP05085D\/cit63\/1","doi-asserted-by":"crossref","first-page":"309","DOI":"10.1021\/jo01061a008","volume":"26","author":"Woods","year":"1961","journal-title":"J. Org. Chem."},{"key":"D2CP05085D\/cit64\/1","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/S0040-6031(99)00009-X","volume":"33","author":"Sabbah","year":"1999","journal-title":"Thermochim. Acta"},{"key":"D2CP05085D\/cit65\/1","first-page":"217","volume":"1","author":"Konicek","year":"1971","journal-title":"Chem. Scr."},{"key":"D2CP05085D\/cit66\/1","doi-asserted-by":"crossref","first-page":"667","DOI":"10.1016\/0021-9614(74)90117-7","volume":"6","author":"Suurkuusk","year":"1974","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit67\/1","doi-asserted-by":"crossref","first-page":"1818","DOI":"10.1016\/j.jct.2011.06.010","volume":"43","author":"Santos","year":"2011","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit68\/1","doi-asserted-by":"crossref","first-page":"1405","DOI":"10.1088\/0957-0233\/17\/6\/018","volume":"17","author":"Bernardes","year":"2006","journal-title":"Meas. Sci. Technol."},{"key":"D2CP05085D\/cit69\/1","doi-asserted-by":"crossref","first-page":"834","DOI":"10.1016\/j.jct.2010.12.022","volume":"43","author":"Santos","year":"2011","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit70\/1","doi-asserted-by":"crossref","first-page":"530","DOI":"10.1016\/j.jct.2012.07.023","volume":"57","author":"Fulem","year":"2013","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit71\/1","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1016\/j.jct.2006.10.013","volume":"39","author":"Ribeiro da Silva","year":"2007","journal-title":"J. Chem. Thermodyn."},{"key":"D2CP05085D\/cit72\/1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1007\/s10973-006-7509-2","volume":"89","author":"Santos","year":"2007","journal-title":"J. Therm. Anal. Calorim."},{"key":"D2CP05085D\/cit73\/1","doi-asserted-by":"crossref","first-page":"425","DOI":"10.6028\/jres.079A.008","volume":"79A","author":"Johnson","year":"1975","journal-title":"J. Res. Natl. Bur. Stand."},{"key":"D2CP05085D\/cit74\/1","doi-asserted-by":"crossref","first-page":"525","DOI":"10.6028\/jres.010.037","volume":"10","author":"Washburn","year":"1933","journal-title":"J. Res. Natl. Bur. Stand."},{"key":"D2CP05085D\/cit75\/1","volume-title":"Experimental Thermochemistry","author":"Hubbard","year":"1956","unstructured":"W. N.Hubbard , D. W.Scott and G.Waddington , in Experimental Thermochemistry , ed. F. D. Rossini , Interscience , New York , 1956 , ch. 5, vol. 1"},{"key":"D2CP05085D\/cit76\/1","volume-title":"Experimental Thermochemistry","author":"Good","year":"1962","unstructured":"W. D.Good and D. W.Scott , in Experimental Thermochemistry , ed. H. A. Skinner , Interscience , New York , 1962 , ch. 2, vol. 2"},{"key":"D2CP05085D\/cit77\/1","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1351\/PAC-REP-10-09-14","volume":"83","author":"Wieser","year":"2010","journal-title":"Pure Appl. Chem."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D2CP05085D","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D2CP05085D","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,18]],"date-time":"2024-04-18T00:41:45Z","timestamp":1713400905000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=D2CP05085D"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":77,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2023,5,17]]}},"URL":"https:\/\/doi.org\/10.1039\/d2cp05085d","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"type":"print","value":"1463-9076"},{"type":"electronic","value":"1463-9084"}],"subject":[],"published":{"date-parts":[[2023]]}}}