{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T20:29:32Z","timestamp":1790972972902,"version":"4.1.0"},"reference-count":88,"publisher":"Royal Society of Chemistry (RSC)","issue":"1","license":[{"start":{"date-parts":[[2023,12,6]],"date-time":"2023-12-06T00:00:00Z","timestamp":1701820800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/W029057\/1"],"award-info":[{"award-number":["EP\/W029057\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/M027015\/1"],"award-info":[{"award-number":["EP\/M027015\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/F030517\/1"],"award-info":[{"award-number":["EP\/F030517\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/V007580\/1"],"award-info":[{"award-number":["EP\/V007580\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/K039547\/1"],"award-info":[{"award-number":["EP\/K039547\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["239621"],"award-info":[{"award-number":["239621"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000781","name":"European Research Council","doi-asserted-by":"publisher","award":["612724"],"award-info":[{"award-number":["612724"]}],"id":[{"id":"10.13039\/501100000781","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000770","name":"University of Manchester","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000770","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Chem. Sci."],"abstract":"<jats:p>A combined solid-state NMR and DFT computational shielding study confirms the presence of Ce\ue001C double bonds in cerium\u2013diphosphonioalkylidene complexes.<\/jats:p>","DOI":"10.1039\/d3sc04449a","type":"journal-article","created":{"date-parts":[[2023,12,6]],"date-time":"2023-12-06T04:46:03Z","timestamp":1701837963000},"page":"238-249","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":27,"title":["<sup>13<\/sup>\n                    C\n                    <sub>carbene<\/sub>\n                    nuclear magnetic resonance chemical shift analysis confirms Ce\n                    <sup>IV<\/sup>\n                    \ue001C double bonding in cerium(\n                    <scp>iv<\/scp>\n                    )\u2013diphosphonioalkylidene complexes"],"prefix":"10.1039","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2980-4603","authenticated-orcid":false,"given":"Cameron F.","family":"Baker","sequence":"first","affiliation":[{"name":"Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3751-0325","authenticated-orcid":false,"given":"John A.","family":"Seed","sequence":"additional","affiliation":[{"name":"Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8009-5334","authenticated-orcid":false,"given":"Ralph W.","family":"Adams","sequence":"additional","affiliation":[{"name":"Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1015-0980","authenticated-orcid":false,"given":"Daniel","family":"Lee","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9911-8778","authenticated-orcid":false,"given":"Stephen T.","family":"Liddle","sequence":"additional","affiliation":[{"name":"Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2024]]},"reference":[{"key":"D3SC04449A\/cit1\/1","doi-asserted-by":"crossref","first-page":"5485","DOI":"10.1016\/j.jorganchem.2005.09.024","volume":"690","author":"Jones","year":"2005","journal-title":"J. Organomet. Chem."},{"key":"D3SC04449A\/cit2\/1","doi-asserted-by":"crossref","first-page":"1957","DOI":"10.1039\/b717600g","author":"Cantat","year":"2008","journal-title":"Dalton Trans."},{"key":"D3SC04449A\/cit3\/1","doi-asserted-by":"crossref","first-page":"1145","DOI":"10.1039\/B909238B","volume":"39","author":"Hayton","year":"2010","journal-title":"Dalton Trans."},{"key":"D3SC04449A\/cit4\/1","doi-asserted-by":"crossref","first-page":"2164","DOI":"10.1039\/c0cs00135j","volume":"40","author":"Liddle","year":"2011","journal-title":"Chem. Soc. Rev."},{"key":"D3SC04449A\/cit5\/1","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1016\/j.crci.2012.12.001","volume":"16","author":"Ephritikhine","year":"2013","journal-title":"C. R. Chim."},{"key":"D3SC04449A\/cit6\/1","doi-asserted-by":"crossref","first-page":"2956","DOI":"10.1039\/c3cc39053e","volume":"49","author":"Hayton","year":"2013","journal-title":"Chem. Commun."},{"key":"D3SC04449A\/cit7\/1","doi-asserted-by":"crossref","first-page":"1841","DOI":"10.1002\/ejic.201500051","author":"Gessner","year":"2015","journal-title":"Eur. J. Inorg. Chem."},{"key":"D3SC04449A\/cit8\/1","doi-asserted-by":"crossref","first-page":"262","DOI":"10.1080\/02603594.2015.1020154","volume":"35","author":"Gregson","year":"2015","journal-title":"Comments Inorg. Chem."},{"key":"D3SC04449A\/cit9\/1","doi-asserted-by":"crossref","first-page":"8604","DOI":"10.1002\/anie.201412168","volume":"54","author":"Liddle","year":"2015","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit10\/1","doi-asserted-by":"crossref","first-page":"8555","DOI":"10.1021\/acs.chemrev.8b00802","volume":"119","author":"Fustier-Boutignon","year":"2019","journal-title":"Chem. Rev."},{"key":"D3SC04449A\/cit11\/1","doi-asserted-by":"crossref","first-page":"14379","DOI":"10.1021\/ja107958u","volume":"132","author":"Mills","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit12\/1","doi-asserted-by":"crossref","first-page":"2383","DOI":"10.1002\/anie.201007675","volume":"50","author":"Cooper","year":"2011","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit13\/1","doi-asserted-by":"crossref","first-page":"454","DOI":"10.1038\/nchem.1028","volume":"3","author":"Mills","year":"2011","journal-title":"Nat. Chem."},{"key":"D3SC04449A\/cit14\/1","doi-asserted-by":"crossref","first-page":"10047","DOI":"10.1021\/ja301333f","volume":"134","author":"Mills","year":"2012","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit15\/1","doi-asserted-by":"crossref","first-page":"13016","DOI":"10.1002\/anie.201306984","volume":"52","author":"Gregson","year":"2013","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit16\/1","doi-asserted-by":"crossref","first-page":"6696","DOI":"10.1002\/anie.201403892","volume":"53","author":"Lu","year":"2014","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit17\/1","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1039\/C5SC03111G","volume":"7","author":"Gregson","year":"2016","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit18\/1","doi-asserted-by":"crossref","first-page":"3286","DOI":"10.1039\/C6SC00278A","volume":"7","author":"Gregson","year":"2016","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit19\/1","doi-asserted-by":"crossref","first-page":"14137","DOI":"10.1038\/ncomms14137","volume":"8","author":"Gregson","year":"2017","journal-title":"Nat. Commun."},{"key":"D3SC04449A\/cit20\/1","doi-asserted-by":"crossref","first-page":"5506","DOI":"10.1002\/anie.201802080","volume":"57","author":"Lu","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit21\/1","doi-asserted-by":"crossref","first-page":"6587","DOI":"10.1002\/anie.201803493","volume":"57","author":"Lu","year":"2018","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit22\/1","doi-asserted-by":"crossref","first-page":"2097","DOI":"10.1038\/s41467-018-04560-7","volume":"9","author":"Wooles","year":"2018","journal-title":"Nat. Commun."},{"key":"D3SC04449A\/cit23\/1","doi-asserted-by":"crossref","first-page":"634","DOI":"10.1038\/s41467-019-08553-y","volume":"10","author":"Lu","year":"2019","journal-title":"Nat. Commun."},{"key":"D3SC04449A\/cit24\/1","doi-asserted-by":"crossref","first-page":"806","DOI":"10.1038\/s41557-019-0306-x","volume":"11","author":"Lu","year":"2019","journal-title":"Nat. Chem."},{"key":"D3SC04449A\/cit25\/1","doi-asserted-by":"crossref","first-page":"9764","DOI":"10.1021\/jacs.2c02152","volume":"144","author":"Goodwin","year":"2022","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit26\/1","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1039\/D0SC04736H","volume":"12","author":"Normand","year":"2021","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit27\/1","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.1039\/b719633d","author":"Liddle","year":"2008","journal-title":"Chem. Commun."},{"key":"D3SC04449A\/cit28\/1","doi-asserted-by":"crossref","first-page":"6928","DOI":"10.1021\/jacs.6b03293","volume":"138","author":"Solola","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit29\/1","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1021\/acs.organomet.6b00394","volume":"36","author":"Levine","year":"2017","journal-title":"Organometallics"},{"key":"D3SC04449A\/cit30\/1","doi-asserted-by":"crossref","first-page":"1884","DOI":"10.1021\/acs.organomet.8b00137","volume":"37","author":"Rungthanaphatsophon","year":"2018","journal-title":"Organometallics"},{"key":"D3SC04449A\/cit31\/1","doi-asserted-by":"crossref","first-page":"2261","DOI":"10.1021\/jacs.5b12597","volume":"138","author":"Halbert","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit32\/1","doi-asserted-by":"crossref","first-page":"10127","DOI":"10.1002\/anie.201701537","volume":"56","author":"Yamamoto","year":"2017","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit33\/1","doi-asserted-by":"crossref","first-page":"1912","DOI":"10.1039\/C7SC05039A","volume":"9","author":"Gordon","year":"2018","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit34\/1","doi-asserted-by":"crossref","first-page":"648","DOI":"10.1021\/jacs.8b11951","volume":"141","author":"Gordon","year":"2019","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit35\/1","doi-asserted-by":"crossref","first-page":"2278","DOI":"10.1021\/acs.accounts.9b00225","volume":"52","author":"Gordon","year":"2019","journal-title":"Acc. Chem. Res."},{"key":"D3SC04449A\/cit36\/1","doi-asserted-by":"crossref","first-page":"16729","DOI":"10.1002\/chem.201303115","volume":"19","author":"Gessner","year":"2013","journal-title":"Chem.\u2013Eur. J."},{"key":"D3SC04449A\/cit37\/1","doi-asserted-by":"crossref","first-page":"4519","DOI":"10.1021\/acs.organomet.7b00202","volume":"36","author":"Smiles","year":"2017","journal-title":"Organometallics"},{"key":"D3SC04449A\/cit38\/1","doi-asserted-by":"crossref","first-page":"30462","DOI":"10.1039\/C6CP06129J","volume":"18","author":"Greif","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D3SC04449A\/cit39\/1","doi-asserted-by":"crossref","first-page":"7065","DOI":"10.1021\/acs.chemrev.9b00785","volume":"120","author":"V\u013acha","year":"2020","journal-title":"Chem. Rev."},{"key":"D3SC04449A\/cit40\/1","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1002\/pssb.19690330144","volume":"33","author":"Gabuda","year":"1969","journal-title":"Phys. Status Solidi B"},{"key":"D3SC04449A\/cit41\/1","doi-asserted-by":"crossref","first-page":"084501","DOI":"10.1063\/1.3308499","volume":"132","author":"Cho","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit42\/1","doi-asserted-by":"crossref","first-page":"10884","DOI":"10.1002\/anie.201204634","volume":"51","author":"Hrob\u00e1rik","year":"2012","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit43\/1","doi-asserted-by":"crossref","first-page":"3259","DOI":"10.1002\/anie.201209611","volume":"52","author":"Seaman","year":"2013","journal-title":"Angew. Chem., Int. Ed."},{"key":"D3SC04449A\/cit44\/1","doi-asserted-by":"crossref","first-page":"6928","DOI":"10.1021\/ic5007555","volume":"53","author":"Martel","year":"2014","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit45\/1","doi-asserted-by":"crossref","first-page":"27640","DOI":"10.1021\/jp507088t","volume":"118","author":"Martel","year":"2014","journal-title":"J. Phys. Chem. C"},{"key":"D3SC04449A\/cit46\/1","doi-asserted-by":"crossref","first-page":"814","DOI":"10.1021\/jacs.5b07767","volume":"138","author":"Smiles","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit47\/1","doi-asserted-by":"crossref","first-page":"224409","DOI":"10.1103\/PhysRevB.93.224409","volume":"93","author":"Capan","year":"2016","journal-title":"Phys. Rev. B"},{"key":"D3SC04449A\/cit48\/1","doi-asserted-by":"crossref","first-page":"8371","DOI":"10.1021\/acs.inorgchem.6b00735","volume":"55","author":"Mounce","year":"2016","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit49\/1","doi-asserted-by":"crossref","first-page":"15350","DOI":"10.1021\/acs.inorgchem.8b02683","volume":"57","author":"Martel","year":"2018","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit50\/1","doi-asserted-by":"crossref","first-page":"014410","DOI":"10.1103\/PhysRevB.98.014410","volume":"98","author":"Martel","year":"2018","journal-title":"Phys. Rev. B"},{"key":"D3SC04449A\/cit51\/1","doi-asserted-by":"crossref","first-page":"6873","DOI":"10.1021\/acs.jpca.8b04369","volume":"122","author":"Devore","year":"2018","journal-title":"J. Phys. Chem. A"},{"key":"D3SC04449A\/cit52\/1","doi-asserted-by":"crossref","first-page":"4152","DOI":"10.1021\/acs.inorgchem.8b03175","volume":"58","author":"Mullane","year":"2019","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit53\/1","doi-asserted-by":"crossref","first-page":"6431","DOI":"10.1039\/C9SC01960J","volume":"10","author":"Staun","year":"2019","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit54\/1","doi-asserted-by":"crossref","first-page":"10138","DOI":"10.1021\/acs.inorgchem.0c01263","volume":"59","author":"Sergentu","year":"2020","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit55\/1","doi-asserted-by":"crossref","first-page":"1713","DOI":"10.1038\/s41467-021-21766-4","volume":"12","author":"Panetti","year":"2021","journal-title":"Nat. Commun."},{"key":"D3SC04449A\/cit56\/1","doi-asserted-by":"crossref","first-page":"9813","DOI":"10.1021\/jacs.1c03236","volume":"143","author":"R\u00e9ant","year":"2021","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit57\/1","doi-asserted-by":"crossref","first-page":"12436","DOI":"10.1021\/acs.inorgchem.1c01686","volume":"60","author":"Ordo\u00f1ez","year":"2021","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit58\/1","doi-asserted-by":"crossref","first-page":"5649","DOI":"10.1038\/s41467-021-25863-2","volume":"12","author":"Du","year":"2021","journal-title":"Nat. Commun."},{"key":"D3SC04449A\/cit59\/1","doi-asserted-by":"crossref","first-page":"14383","DOI":"10.1039\/D1SC04666G","volume":"12","author":"Kent","year":"2021","journal-title":"Chem. Sci."},{"key":"D3SC04449A\/cit60\/1","doi-asserted-by":"crossref","first-page":"15413","DOI":"10.1021\/acs.inorgchem.1c02064","volume":"60","author":"Kent","year":"2021","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit61\/1","doi-asserted-by":"crossref","first-page":"6805","DOI":"10.1039\/D2CC01780F","volume":"58","author":"Kent","year":"2022","journal-title":"Chem. Commun."},{"key":"D3SC04449A\/cit62\/1","doi-asserted-by":"crossref","first-page":"21766","DOI":"10.1021\/jacs.3c02775","volume":"145","author":"Du","year":"2023","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit63\/1","first-page":"57","volume-title":"ADF Manual","year":"2017","unstructured":"ADF Manual , Release  2017 ,  p. 57"},{"key":"D3SC04449A\/cit64\/1","doi-asserted-by":"crossref","first-page":"699","DOI":"10.1103\/PhysRev.78.699","volume":"78","author":"Ramsey","year":"1950","journal-title":"Phys. Rev."},{"key":"D3SC04449A\/cit65\/1","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1103\/PhysRev.83.540","volume":"83","author":"Ramsey","year":"1951","journal-title":"Phys. Rev."},{"key":"D3SC04449A\/cit66\/1","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1103\/PhysRev.86.243","volume":"86","author":"Ramsey","year":"1952","journal-title":"Phys. Rev."},{"key":"D3SC04449A\/cit67\/1","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1002\/cmr.a.20136","volume":"34","author":"Widdifield","year":"2009","journal-title":"Concepts Magn. Reson., Part A"},{"key":"D3SC04449A\/cit68\/1","doi-asserted-by":"crossref","first-page":"13374","DOI":"10.1021\/ja3040762","volume":"134","author":"Sutter","year":"2012","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC04449A\/cit69\/1","doi-asserted-by":"crossref","first-page":"3121","DOI":"10.1021\/acs.organomet.0c00309","volume":"39","author":"Payard","year":"2020","journal-title":"Organometallics"},{"key":"D3SC04449A\/cit70\/1","doi-asserted-by":"crossref","first-page":"17038","DOI":"10.1021\/acs.inorgchem.0c02256","volume":"59","author":"Raynaud","year":"2020","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit71\/1","doi-asserted-by":"crossref","first-page":"9254","DOI":"10.1021\/acs.inorgchem.1c01099","volume":"60","author":"Transue","year":"2021","journal-title":"Inorg. Chem."},{"key":"D3SC04449A\/cit72\/1","doi-asserted-by":"crossref","first-page":"164112","DOI":"10.1063\/1.2905235","volume":"128","author":"Autschbach","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit73\/1","doi-asserted-by":"crossref","first-page":"S45","DOI":"10.1002\/mrc.2289","volume":"46","author":"Autschbach","year":"2008","journal-title":"Magn. Reson. Chem."},{"key":"D3SC04449A\/cit74\/1","first-page":"391","volume":"99","author":"Fonseca Guerra","year":"1998","journal-title":"Theor. Chem. Acc."},{"key":"D3SC04449A\/cit75\/1","doi-asserted-by":"crossref","first-page":"931","DOI":"10.1002\/jcc.1056","volume":"22","author":"te Velde","year":"2001","journal-title":"J. Comput. Chem."},{"key":"D3SC04449A\/cit76\/1","doi-asserted-by":"crossref","first-page":"4597","DOI":"10.1063\/1.466059","volume":"99","author":"Van Lenthe","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit77\/1","doi-asserted-by":"crossref","first-page":"9783","DOI":"10.1063\/1.467943","volume":"101","author":"Van Lenthe","year":"1994","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit78\/1","doi-asserted-by":"crossref","first-page":"8943","DOI":"10.1063\/1.478813","volume":"110","author":"Van Lenthe","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit79\/1","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.1139\/p80-159","volume":"58","author":"Vosko","year":"1980","journal-title":"Can. J. Phys."},{"key":"D3SC04449A\/cit80\/1","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A: At., Mol., Opt. Phys."},{"key":"D3SC04449A\/cit81\/1","doi-asserted-by":"crossref","first-page":"8822","DOI":"10.1103\/PhysRevB.33.8822","volume":"33","author":"Perdew","year":"1986","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D3SC04449A\/cit82\/1","doi-asserted-by":"crossref","first-page":"2134","DOI":"10.1002\/jcc.23366","volume":"34","author":"Glendening","year":"2013","journal-title":"J. Comput. Chem."},{"key":"D3SC04449A\/cit83\/1","doi-asserted-by":"crossref","first-page":"606","DOI":"10.1021\/j100002a024","volume":"99","author":"Schreckenbach","year":"1995","journal-title":"J. Phys. Chem."},{"key":"D3SC04449A\/cit84\/1","doi-asserted-by":"crossref","first-page":"4967","DOI":"10.1021\/jp0346559","volume":"107","author":"Autschbach","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"D3SC04449A\/cit85\/1","doi-asserted-by":"crossref","first-page":"1676","DOI":"10.1002\/qua.21985","volume":"109","author":"Krykunov","year":"2009","journal-title":"Int. J. Quantum Chem."},{"key":"D3SC04449A\/cit86\/1","doi-asserted-by":"crossref","first-page":"7689","DOI":"10.1063\/1.478680","volume":"110","author":"Wolff","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D3SC04449A\/cit87\/1","doi-asserted-by":"crossref","first-page":"2544","DOI":"10.1080\/00268976.2013.796415","volume":"111","author":"Autschbach","year":"2013","journal-title":"Mol. Phys."},{"key":"D3SC04449A\/cit88\/1","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1002\/mrc.4793","volume":"57","author":"Young","year":"2019","journal-title":"Magn. Reson. Chem."}],"container-title":["Chemical Science"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2024\/SC\/D3SC04449A","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T18:17:08Z","timestamp":1783448228000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/sc\/article\/15\/1\/238-249\/827572"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024]]},"references-count":88,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2023,12,20]]}},"URL":"https:\/\/doi.org\/10.1039\/d3sc04449a","relation":{},"ISSN":["2041-6520","2041-6539"],"issn-type":[{"value":"2041-6520","type":"print"},{"value":"2041-6539","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024]]}}}