{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:54:52Z","timestamp":1782942892814,"version":"3.54.5"},"reference-count":110,"publisher":"Royal Society of Chemistry (RSC)","issue":"6","license":[{"start":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T00:00:00Z","timestamp":1736121600000},"content-version":"vor","delay-in-days":5,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"DOI":"10.13039\/501100000923","name":"Australian Research Council","doi-asserted-by":"publisher","award":["DP170101596"],"award-info":[{"award-number":["DP170101596"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000923","name":"Australian Research Council","doi-asserted-by":"publisher","award":["DP240100612"],"award-info":[{"award-number":["DP240100612"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000923","name":"Australian Research Council","doi-asserted-by":"publisher","award":["FT110100851"],"award-info":[{"award-number":["FT110100851"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100020553","name":"Northcote Trust","doi-asserted-by":"publisher","award":["Northcote Graduate Scholarship"],"award-info":[{"award-number":["Northcote Graduate Scholarship"]}],"id":[{"id":"10.13039\/501100020553","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Chem. Sci."],"abstract":"<jats:p>Charged functional groups can control gas-phase radical reactions in a predictable and tuneable manner by creating an internal oriented electric field that modulates the rate-limiting transition state.<\/jats:p>","DOI":"10.1039\/d4sc06333c","type":"journal-article","created":{"date-parts":[[2025,1,6]],"date-time":"2025-01-06T15:21:01Z","timestamp":1736176861000},"page":"2861-2878","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions"],"prefix":"10.1039","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3072-075X","authenticated-orcid":false,"given":"Oisin J.","family":"Shiels","sequence":"first","affiliation":[{"name":"Molecular Horizons and School of Chemistry and Molecular Bioscience, University of Wollongong, Wollongong, New South Wales 2522, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8939-0249","authenticated-orcid":false,"given":"Samuel C.","family":"Brydon","sequence":"additional","affiliation":[{"name":"Central Analytical Research Facility and School of Chemistry and Physics, Queensland University of Technology, Brisbane, Queensland 4001, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0420-6116","authenticated-orcid":false,"given":"Berwyck L. J.","family":"Poad","sequence":"additional","affiliation":[{"name":"Central Analytical Research Facility and School of Chemistry and Physics, Queensland University of Technology, Brisbane, Queensland 4001, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1711-2338","authenticated-orcid":false,"given":"David L.","family":"Marshall","sequence":"additional","affiliation":[{"name":"Central Analytical Research Facility and School of Chemistry and Physics, Queensland University of Technology, Brisbane, Queensland 4001, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9309-7037","authenticated-orcid":false,"given":"Sevan D.","family":"Houston","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Queensland, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hui","family":"Xing","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Queensland, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6839-1763","authenticated-orcid":false,"given":"Paul V.","family":"Bernhardt","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Queensland, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7805-8630","authenticated-orcid":false,"given":"G. Paul","family":"Savage","sequence":"additional","affiliation":[{"name":"CSIRO Manufacturing, Ian Wark Laboratory, Melbourne, 3168, Victoria, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3834-7398","authenticated-orcid":false,"given":"Craig M.","family":"Williams","sequence":"additional","affiliation":[{"name":"School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Queensland, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4376-832X","authenticated-orcid":false,"given":"David G.","family":"Harman","sequence":"additional","affiliation":[{"name":"School of Medicine, Western Sydney University, Penrith, New South Wales 2751, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benjamin B.","family":"Kirk","sequence":"additional","affiliation":[{"name":"RKF Engineering Services, Wollongong, NSW, 2500, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4284-4474","authenticated-orcid":false,"given":"Gabriel","family":"da Silva","sequence":"additional","affiliation":[{"name":"Department of Chemical Engineering, The University of Melbourne, Parkville, Victoria 3010, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8560-756X","authenticated-orcid":false,"given":"Stephen J.","family":"Blanksby","sequence":"additional","affiliation":[{"name":"Central Analytical Research Facility and School of Chemistry and Physics, Queensland University of Technology, Brisbane, Queensland 4001, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2525-3162","authenticated-orcid":false,"given":"Adam J.","family":"Trevitt","sequence":"additional","affiliation":[{"name":"Molecular Horizons and School of Chemistry and Molecular Bioscience, University of Wollongong, Wollongong, New South Wales 2522, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"issue":"12","key":"D4SC06333C\/cit1\/1","doi-asserted-by":"crossref","first-page":"1091","DOI":"10.1038\/nchem.2651","volume":"8","author":"Shaik","year":"2016","journal-title":"Nat. Chem."},{"issue":"14","key":"D4SC06333C\/cit2\/1","doi-asserted-by":"crossref","first-page":"5146","DOI":"10.1039\/C8CS00352A","volume":"47","author":"Ciampi","year":"2018","journal-title":"Chem. Soc. Rev."},{"issue":"2","key":"D4SC06333C\/cit3\/1","first-page":"e1438","volume":"10","author":"Stuyver","year":"2020","journal-title":"Wiley Interdiscip. Rev.:Comput. Mol. Sci."},{"issue":"29","key":"D4SC06333C\/cit4\/1","doi-asserted-by":"crossref","first-page":"12551","DOI":"10.1021\/jacs.0c05128","volume":"142","author":"Shaik","year":"2020","journal-title":"J. Am. Chem. Soc."},{"issue":"19","key":"D4SC06333C\/cit5\/1","doi-asserted-by":"crossref","first-page":"5432","DOI":"10.1039\/D2SC01715F","volume":"13","author":"Weberg","year":"2022","journal-title":"Chem. Sci."},{"issue":"1","key":"D4SC06333C\/cit6\/1","doi-asserted-by":"crossref","first-page":"606","DOI":"10.1021\/jacs.9b12186","volume":"142","author":"Blyth","year":"2019","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"D4SC06333C\/cit7\/1","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1021\/cr9000429","volume":"110","author":"Dalton","year":"2010","journal-title":"Chem. Rev."},{"issue":"38","key":"D4SC06333C\/cit8\/1","doi-asserted-by":"crossref","first-page":"e2207761119","DOI":"10.1073\/pnas.2207761119","volume":"119","author":"Saura","year":"2022","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"issue":"33","key":"D4SC06333C\/cit9\/1","doi-asserted-by":"crossref","first-page":"22482","DOI":"10.1039\/C7CP04202G","volume":"19","author":"Bhattacharyya","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"17","key":"D4SC06333C\/cit10\/1","doi-asserted-by":"crossref","first-page":"10923","DOI":"10.1021\/acscatal.1c02084","volume":"11","author":"L\u00e9onard","year":"2021","journal-title":"ACS Catal."},{"key":"D4SC06333C\/cit11\/1","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1146\/annurev-biochem-061516-044432","volume":"86","author":"Fried","year":"2017","journal-title":"Annu. Rev. Biochem."},{"issue":"37","key":"D4SC06333C\/cit12\/1","doi-asserted-by":"crossref","first-page":"11746","DOI":"10.1021\/ja047432k","volume":"126","author":"Shaik","year":"2004","journal-title":"J. Am. Chem. Soc."},{"issue":"5784","key":"D4SC06333C\/cit13\/1","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1126\/science.1127159","volume":"313","author":"Suydam","year":"2006","journal-title":"Science"},{"issue":"2","key":"D4SC06333C\/cit14\/1","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1021\/ar500390e","volume":"48","author":"Hanoian","year":"2015","journal-title":"Acc. Chem. Res."},{"issue":"6216","key":"D4SC06333C\/cit15\/1","doi-asserted-by":"crossref","first-page":"1510","DOI":"10.1126\/science.1259802","volume":"346","author":"Fried","year":"2014","journal-title":"Science"},{"issue":"36","key":"D4SC06333C\/cit16\/1","doi-asserted-by":"crossref","first-page":"11890","DOI":"10.1021\/jacs.6b06843","volume":"138","author":"Wu","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"D4SC06333C\/cit17\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.chemphys.2016.08.008","volume":"477","author":"Rinc\u00f3n","year":"2016","journal-title":"Chem. Phys."},{"issue":"1","key":"D4SC06333C\/cit18\/1","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1038\/s41467-021-27941-x","volume":"13","author":"Hao","year":"2022","journal-title":"Nat. Commun."},{"issue":"17","key":"D4SC06333C\/cit19\/1","doi-asserted-by":"crossref","first-page":"7423","DOI":"10.1021\/acs.jpclett.0c02061","volume":"11","author":"Xiong","year":"2020","journal-title":"J. Phys. Chem.\nLett."},{"issue":"4","key":"D4SC06333C\/cit20\/1","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1017\/S0033583515000086","volume":"48","author":"Lee","year":"2015","journal-title":"Q. Rev. Biophys."},{"issue":"42","key":"D4SC06333C\/cit21\/1","doi-asserted-by":"crossref","first-page":"12960","DOI":"10.1002\/anie.201602270","volume":"55","author":"Yan","year":"2016","journal-title":"Angew. Chem., Int. Ed."},{"issue":"13","key":"D4SC06333C\/cit22\/1","doi-asserted-by":"crossref","first-page":"3898","DOI":"10.1073\/pnas.1503689112","volume":"112","author":"Lee","year":"2015","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"D4SC06333C\/cit23\/1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1146\/annurev-physchem-121319-110654","volume":"71","author":"Wei","year":"2020","journal-title":"Annu. Rev. Phys. Chem."},{"issue":"9","key":"D4SC06333C\/cit24\/1","doi-asserted-by":"crossref","first-page":"459","DOI":"10.1038\/s41570-020-0203-2","volume":"4","author":"Ruiz-Lopez","year":"2020","journal-title":"Nat. Rev. Chem"},{"issue":"7592","key":"D4SC06333C\/cit25\/1","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1038\/nature16989","volume":"531","author":"Aragones","year":"2016","journal-title":"Nature"},{"issue":"6","key":"D4SC06333C\/cit26\/1","doi-asserted-by":"crossref","first-page":"eaaw3072","DOI":"10.1126\/sciadv.aaw3072","volume":"5","author":"Huang","year":"2019","journal-title":"Sci. Adv."},{"issue":"28","key":"D4SC06333C\/cit27\/1","doi-asserted-by":"crossref","first-page":"15024","DOI":"10.1021\/jacs.3c02552","volume":"145","author":"Shiels","year":"2023","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"D4SC06333C\/cit28\/1","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1002\/cphc.200900848","volume":"11","author":"Meir","year":"2010","journal-title":"ChemPhysChem"},{"issue":"16","key":"D4SC06333C\/cit29\/1","doi-asserted-by":"crossref","first-page":"163603","DOI":"10.1103\/PhysRevLett.107.163603","volume":"107","author":"Fleischer","year":"2011","journal-title":"Phys. Rev. Lett."},{"issue":"3","key":"D4SC06333C\/cit30\/1","doi-asserted-by":"crossref","first-page":"035005","DOI":"10.1103\/RevModPhys.91.035005","volume":"91","author":"Koch","year":"2019","journal-title":"Rev. Mod. Phys."},{"issue":"48","key":"D4SC06333C\/cit31\/1","doi-asserted-by":"crossref","first-page":"19187","DOI":"10.1039\/c1jm13417e","volume":"21","author":"Yokoyama","year":"2011","journal-title":"J. Mater. Chem."},{"issue":"30","key":"D4SC06333C\/cit32\/1","doi-asserted-by":"crossref","first-page":"11257","DOI":"10.1021\/ja404394z","volume":"135","author":"Gorin","year":"2013","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"D4SC06333C\/cit33\/1","doi-asserted-by":"publisher","first-page":"186","DOI":"10.1021\/ja210365j","volume":"134","author":"Gorin","year":"2012","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"D4SC06333C\/cit34\/1","doi-asserted-by":"crossref","first-page":"3","DOI":"10.3390\/surfaces1010002","volume":"1","author":"Zhang","year":"2018","journal-title":"Surfaces"},{"issue":"1","key":"D4SC06333C\/cit35\/1","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1039\/C3NR03998F","volume":"6","author":"Li","year":"2014","journal-title":"Nanoscale"},{"issue":"1","key":"D4SC06333C\/cit36\/1","doi-asserted-by":"crossref","first-page":"e12007","DOI":"10.1002\/eom2.12007","volume":"1","author":"Guo","year":"2019","journal-title":"EcoMat"},{"issue":"51","key":"D4SC06333C\/cit37\/1","doi-asserted-by":"crossref","first-page":"16639","DOI":"10.1021\/jacs.6b07014","volume":"138","author":"Azcarate","year":"2016","journal-title":"J. Am. Chem. Soc."},{"issue":"4","key":"D4SC06333C\/cit38\/1","doi-asserted-by":"crossref","first-page":"2130","DOI":"10.1039\/C9CP05989J","volume":"22","author":"So","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"1","key":"D4SC06333C\/cit39\/1","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1021\/acs.jpcb.7b10002","volume":"122","author":"Kumar","year":"2018","journal-title":"J. Phys. Chem. B"},{"issue":"41","key":"D4SC06333C\/cit40\/1","doi-asserted-by":"crossref","first-page":"15392","DOI":"10.1021\/ja404279f","volume":"135","author":"Gryn\u2019ova","year":"2013","journal-title":"J. Am. Chem. Soc."},{"issue":"4","key":"D4SC06333C\/cit41\/1","doi-asserted-by":"crossref","first-page":"1250","DOI":"10.1021\/ja411662a","volume":"136","author":"Franchi","year":"2014","journal-title":"J. Am. Chem. Soc."},{"issue":"30","key":"D4SC06333C\/cit42\/1","doi-asserted-by":"crossref","first-page":"13738","DOI":"10.1039\/c1cp20175a","volume":"13","author":"Arabi","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"18","key":"D4SC06333C\/cit43\/1","doi-asserted-by":"crossref","first-page":"3520","DOI":"10.1021\/acs.jpca.0c00492","volume":"124","author":"Kempfer-Robertson","year":"2020","journal-title":"J. Phys. Chem. A"},{"issue":"4","key":"D4SC06333C\/cit44\/1","doi-asserted-by":"crossref","first-page":"e14888","DOI":"10.1016\/j.heliyon.2023.e14888","volume":"9","author":"Amer","year":"2023","journal-title":"Heliyon"},{"key":"D4SC06333C\/cit45\/1","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1039\/D2FD00045H","volume":"238","author":"Shiels","year":"2022","journal-title":"Faraday Discuss."},{"issue":"2","key":"D4SC06333C\/cit46\/1","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1021\/jasms.0c00386","volume":"32","author":"Shiels","year":"2021","journal-title":"J. Am. Soc. Mass Spectrom."},{"issue":"8","key":"D4SC06333C\/cit47\/1","doi-asserted-by":"crossref","first-page":"705","DOI":"10.1071\/CH19606","volume":"73","author":"Shiels","year":"2020","journal-title":"Aust. J. Chem."},{"issue":"9","key":"D4SC06333C\/cit48\/1","doi-asserted-by":"crossref","first-page":"6949","DOI":"10.1021\/cr400121w","volume":"113","author":"Williams","year":"2013","journal-title":"Chem. Rev."},{"issue":"22","key":"D4SC06333C\/cit49\/1","doi-asserted-by":"crossref","first-page":"6225","DOI":"10.1016\/S0040-4020(01)88084-4","volume":"42","author":"Yates","year":"1986","journal-title":"Tetrahedron"},{"issue":"12","key":"D4SC06333C\/cit50\/1","doi-asserted-by":"crossref","first-page":"1831","DOI":"10.1351\/pac198456121831","volume":"56","author":"Radom","year":"1984","journal-title":"Pure Appl. Chem."},{"issue":"20","key":"D4SC06333C\/cit51\/1","doi-asserted-by":"crossref","first-page":"5805","DOI":"10.1021\/ja00332a008","volume":"106","author":"Yates","year":"1984","journal-title":"J. Am. Chem. Soc."},{"issue":"7","key":"D4SC06333C\/cit52\/1","doi-asserted-by":"crossref","first-page":"3135","DOI":"10.1021\/ja00086a058","volume":"116","author":"Chyall","year":"1994","journal-title":"J. Am. Chem. Soc."},{"issue":"7","key":"D4SC06333C\/cit53\/1","doi-asserted-by":"crossref","first-page":"1649","DOI":"10.1021\/cr00015a008","volume":"92","author":"Stirk","year":"1992","journal-title":"Chem. Rev."},{"issue":"13","key":"D4SC06333C\/cit54\/1","doi-asserted-by":"crossref","first-page":"4800","DOI":"10.1039\/D0SC07111K","volume":"12","author":"Mondal","year":"2021","journal-title":"Chem. Sci."},{"key":"D4SC06333C\/cit55\/1","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/j.ijms.2018.10.031","volume":"435","author":"Marshall","year":"2019","journal-title":"Int. J. Mass Spectrom."},{"issue":"42","key":"D4SC06333C\/cit56\/1","doi-asserted-by":"crossref","first-page":"9767","DOI":"10.1021\/jp025521i","volume":"106","author":"Petzold","year":"2002","journal-title":"J. Phys. Chem. A"},{"issue":"4","key":"D4SC06333C\/cit57\/1","doi-asserted-by":"crossref","first-page":"431","DOI":"10.1002\/oms.1210070407","volume":"7","author":"Billets","year":"1973","journal-title":"Org. Mass Spectrom."},{"issue":"32","key":"D4SC06333C\/cit58\/1","doi-asserted-by":"crossref","first-page":"17939","DOI":"10.1039\/C9CP01935A","volume":"21","author":"Prendergast","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"2","key":"D4SC06333C\/cit59\/1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1002\/mas.1280070202","volume":"7","author":"Hammerum","year":"1988","journal-title":"Mass Spectrom. Rev."},{"issue":"46","key":"D4SC06333C\/cit60\/1","doi-asserted-by":"crossref","first-page":"31072","DOI":"10.1039\/C7CP06644A","volume":"19","author":"Bright","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"6","key":"D4SC06333C\/cit61\/1","doi-asserted-by":"crossref","first-page":"4320","DOI":"10.1039\/C5CP02953H","volume":"18","author":"Prendergast","year":"2016","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"47","key":"D4SC06333C\/cit62\/1","doi-asserted-by":"crossref","first-page":"20577","DOI":"10.1039\/c3cp53690d","volume":"15","author":"Prendergast","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"21","key":"D4SC06333C\/cit63\/1","doi-asserted-by":"crossref","first-page":"3495","DOI":"10.1039\/b711156h","volume":"5","author":"Harman","year":"2007","journal-title":"Org. Biomol. Chem."},{"issue":"8","key":"D4SC06333C\/cit64\/1","doi-asserted-by":"crossref","first-page":"859","DOI":"10.1039\/b516408g","author":"Harman","year":"2006","journal-title":"Chem. Commun."},{"issue":"7","key":"D4SC06333C\/cit65\/1","doi-asserted-by":"crossref","first-page":"2417","DOI":"10.1039\/c2cp22970f","volume":"14","author":"Lam","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"2","key":"D4SC06333C\/cit66\/1","doi-asserted-by":"crossref","first-page":"450","DOI":"10.1002\/asia.201200933","volume":"8","author":"Li","year":"2013","journal-title":"Chem.\u2013An Asian J."},{"key":"D4SC06333C\/cit67\/1","volume-title":"Gaussian 16, revision C. 01","author":"Frisch","year":"2016","unstructured":"M.Frisch ;  G.Trucks ;  H.Schlegel ;  G.Scuseria ;  M.Robb ;  J.Cheeseman ;  G.Scalmani ;  V.Barone ;  G.Petersson  and  H.Nakatsuji ,  Gaussian 16, revision C. 01 ,  Gaussian, Inc. ,  Wallingford CT ,  2016"},{"issue":"24","key":"D4SC06333C\/cit68\/1","doi-asserted-by":"crossref","first-page":"5129","DOI":"10.1021\/acs.jpca.9b03157","volume":"123","author":"Santra","year":"2019","journal-title":"J. Phys. Chem. A"},{"issue":"19","key":"D4SC06333C\/cit69\/1","doi-asserted-by":"crossref","first-page":"e25417","DOI":"10.1002\/qua.25417","volume":"117","author":"Yu","year":"2017","journal-title":"Int. J. Quantum Chem."},{"issue":"45","key":"D4SC06333C\/cit70\/1","doi-asserted-by":"crossref","first-page":"20104","DOI":"10.1039\/c1cp22592h","volume":"13","author":"Kozuch","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"10","key":"D4SC06333C\/cit71\/1","doi-asserted-by":"crossref","first-page":"3027","DOI":"10.1021\/ct200106a","volume":"7","author":"Papajak","year":"2011","journal-title":"J. Chem. Theory Comput."},{"issue":"48","key":"D4SC06333C\/cit72\/1","doi-asserted-by":"crossref","first-page":"32184","DOI":"10.1039\/C7CP04913G","volume":"19","author":"Goerigk","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"12","key":"D4SC06333C\/cit73\/1","doi-asserted-by":"crossref","first-page":"124111","DOI":"10.1063\/5.0164372","volume":"159","author":"Scheele","year":"2023","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D4SC06333C\/cit74\/1","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1002\/jcc.26072","volume":"41","author":"Stuyver","year":"2020","journal-title":"J. Comput. Chem."},{"issue":"6","key":"D4SC06333C\/cit75\/1","doi-asserted-by":"crossref","first-page":"932","DOI":"10.1007\/s13361-013-0615-z","volume":"24","author":"Hansen","year":"2013","journal-title":"J. Am. Soc. Mass Spectrom."},{"issue":"9","key":"D4SC06333C\/cit76\/1","doi-asserted-by":"crossref","first-page":"1848","DOI":"10.1007\/s13361-018-1988-9","volume":"29","author":"Williams","year":"2018","journal-title":"J. Am. Soc. Mass Spectrom."},{"issue":"36","key":"D4SC06333C\/cit77\/1","doi-asserted-by":"crossref","first-page":"16314","DOI":"10.1039\/c1cp20784a","volume":"13","author":"Ly","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"3","key":"D4SC06333C\/cit78\/1","doi-asserted-by":"crossref","first-page":"1446","DOI":"10.1021\/jp9073398","volume":"114","author":"Kirk","year":"2010","journal-title":"J. Phys. Chem. A"},{"issue":"48","key":"D4SC06333C\/cit79\/1","doi-asserted-by":"crossref","first-page":"16719","DOI":"10.1039\/c2cp43507a","volume":"14","author":"Kirk","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"43","key":"D4SC06333C\/cit80\/1","doi-asserted-by":"crossref","first-page":"10689","DOI":"10.1021\/ja002351j","volume":"122","author":"Reed","year":"2000","journal-title":"J. Am. Chem. Soc."},{"issue":"6","key":"D4SC06333C\/cit81\/1","doi-asserted-by":"crossref","first-page":"811","DOI":"10.1007\/s13361-013-0625-x","volume":"24","author":"Donald","year":"2013","journal-title":"J. Am. Soc. Mass Spectrom."},{"issue":"4","key":"D4SC06333C\/cit82\/1","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1016\/0020-7381(73)80104-4","volume":"12","author":"Su","year":"1973","journal-title":"Int. J. Mass Spectrom. Ion Phys."},{"issue":"10","key":"D4SC06333C\/cit83\/1","doi-asserted-by":"crossref","first-page":"5183","DOI":"10.1063\/1.442828","volume":"76","author":"Su","year":"1982","journal-title":"J. Chem. Phys."},{"issue":"2","key":"D4SC06333C\/cit84\/1","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1021\/acs.jpca.3c06878","volume":"128","author":"Shiels","year":"2024","journal-title":"J. Phys. Chem. A"},{"issue":"1","key":"D4SC06333C\/cit85\/1","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1002\/kin.20615","volume":"44","author":"Tanaka","year":"2012","journal-title":"Int. J. Chem. Kinet."},{"issue":"27","key":"D4SC06333C\/cit86\/1","doi-asserted-by":"crossref","first-page":"8193","DOI":"10.1039\/D2SC01994A","volume":"13","author":"Chen","year":"2022","journal-title":"Chem. Sci."},{"issue":"56","key":"D4SC06333C\/cit87\/1","doi-asserted-by":"crossref","first-page":"14042","DOI":"10.1002\/chem.202102284","volume":"27","author":"Chen","year":"2021","journal-title":"Chem.\u2013Eur. J."},{"issue":"1","key":"D4SC06333C\/cit88\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1021\/acs.orglett.1c02935","volume":"24","author":"Van Lommel","year":"2021","journal-title":"Org. Lett."},{"issue":"2","key":"D4SC06333C\/cit89\/1","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1021\/cr9900836","volume":"101","author":"Gronert","year":"2001","journal-title":"Chem. Rev."},{"key":"D4SC06333C\/cit90\/1","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1016\/S0168-1176(97)82067-8","volume":"167","author":"Liere","year":"1997","journal-title":"Int. J. Mass Spectrom. Ion Processes"},{"issue":"1","key":"D4SC06333C\/cit91\/1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/mas.20004","volume":"24","author":"Douglas","year":"2005","journal-title":"Mass Spectrom. Rev."},{"issue":"41","key":"D4SC06333C\/cit92\/1","doi-asserted-by":"crossref","first-page":"8881","DOI":"10.1021\/acs.jpca.9b04088","volume":"123","author":"Kelly","year":"2019","journal-title":"J. Phys. Chem. A"},{"issue":"21","key":"D4SC06333C\/cit93\/1","doi-asserted-by":"crossref","first-page":"9571","DOI":"10.1021\/ja00100a022","volume":"116","author":"Yu","year":"1994","journal-title":"J. Am. Chem. Soc."},{"issue":"24","key":"D4SC06333C\/cit94\/1","doi-asserted-by":"crossref","first-page":"5908","DOI":"10.1021\/jp025585t","volume":"106","author":"Tonokura","year":"2002","journal-title":"J. Phys. Chem. A"},{"issue":"2","key":"D4SC06333C\/cit95\/1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1039\/cs9922100105","volume":"21","author":"Walton","year":"1992","journal-title":"Chem. Soc. Rev."},{"issue":"4","key":"D4SC06333C\/cit96\/1","doi-asserted-by":"crossref","first-page":"1418","DOI":"10.1063\/1.1674190","volume":"53","author":"Reinhart","year":"1970","journal-title":"J. Chem. Phys."},{"key":"D4SC06333C\/cit97\/1","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1002\/9780470142943.ch6","volume-title":"Advances in Chemical Physics: Ab Initio Methods in Quantum Chemistry Part 2","volume":"69","author":"Cooper","year":"1987","unstructured":"D.Cooper ;  J.Gerratt  and  M.Raimondi ,  Modern valence bond theory ,  Advances in Chemical Physics: Ab Initio Methods in Quantum Chemistry Part 2 ,  1987 , vol.  69 ,  pp. 319\u2013397"},{"key":"D4SC06333C\/cit98\/1","doi-asserted-by":"crossref","DOI":"10.1002\/9780470192597","volume-title":"A Chemist's Guide to Valence Bond Theory","author":"Shaik","year":"2007","unstructured":"S. S.Shaik  and  P. C.Hiberty ,  A Chemist's Guide to Valence Bond Theory ,  John Wiley & Sons ,  2007"},{"issue":"13","key":"D4SC06333C\/cit99\/1","doi-asserted-by":"crossref","first-page":"6677","DOI":"10.1021\/jo400927y","volume":"78","author":"Ho","year":"2013","journal-title":"J. Org. Chem."},{"issue":"25","key":"D4SC06333C\/cit100\/1","doi-asserted-by":"crossref","first-page":"5610","DOI":"10.1021\/acs.jpca.8b04058","volume":"122","author":"Najibi","year":"2018","journal-title":"J. Phys. Chem. A"},{"issue":"23","key":"D4SC06333C\/cit101\/1","doi-asserted-by":"crossref","first-page":"3754","DOI":"10.1021\/ja00906a009","volume":"85","author":"Bridger","year":"1963","journal-title":"J. Am. Chem. Soc."},{"issue":"7","key":"D4SC06333C\/cit102\/1","doi-asserted-by":"crossref","first-page":"2024","DOI":"10.1021\/ja00112a016","volume":"117","author":"Glukhovtsev","year":"1995","journal-title":"J. Am. Chem. Soc."},{"issue":"14","key":"D4SC06333C\/cit103\/1","doi-asserted-by":"crossref","first-page":"9629","DOI":"10.1021\/acs.joc.2c02233","volume":"88","author":"Brydon","year":"2023","journal-title":"J. Org. Chem."},{"issue":"22","key":"D4SC06333C\/cit104\/1","doi-asserted-by":"crossref","first-page":"8431","DOI":"10.1002\/ange.201914943","volume":"132","author":"Castro","year":"2020","journal-title":"Angew. Chem."},{"issue":"1","key":"D4SC06333C\/cit105\/1","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1021\/ja00287a029","volume":"107","author":"Saunders Jr","year":"1985","journal-title":"J. Am. Chem. Soc."},{"issue":"28","key":"D4SC06333C\/cit106\/1","doi-asserted-by":"crossref","first-page":"7145","DOI":"10.1021\/jp509170x","volume":"119","author":"Parker","year":"2015","journal-title":"J. Phys. Chem. A"},{"issue":"12","key":"D4SC06333C\/cit107\/1","doi-asserted-by":"crossref","first-page":"774","DOI":"10.1039\/c39840000774","author":"Barton","year":"1984","journal-title":"J. Chem. Soc., Chem. Commun."},{"issue":"8","key":"D4SC06333C\/cit108\/1","doi-asserted-by":"crossref","first-page":"1944","DOI":"10.1021\/ol200290m","volume":"13","author":"Ko","year":"2011","journal-title":"Org. Lett."},{"issue":"4","key":"D4SC06333C\/cit109\/1","doi-asserted-by":"crossref","first-page":"978","DOI":"10.1021\/ja00394a062","volume":"103","author":"Bohme","year":"1981","journal-title":"J. Am. Chem. Soc."},{"issue":"11","key":"D4SC06333C\/cit110\/1","doi-asserted-by":"crossref","first-page":"3808","DOI":"10.1021\/ja909399u","volume":"132","author":"Garver","year":"2010","journal-title":"J. Am. Chem. Soc."}],"container-title":["Chemical Science"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/SC\/D4SC06333C","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T21:22:25Z","timestamp":1782940945000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/sc\/article\/16\/6\/2861-2878\/870093"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":110,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2025,2,5]]}},"URL":"https:\/\/doi.org\/10.1039\/d4sc06333c","relation":{},"ISSN":["2041-6520","2041-6539"],"issn-type":[{"value":"2041-6520","type":"print"},{"value":"2041-6539","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}