{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T15:51:15Z","timestamp":1777391475671,"version":"3.51.4"},"reference-count":52,"publisher":"American Chemical Society (ACS)","issue":"22","license":[{"start":{"date-parts":[[2024,11,15]],"date-time":"2024-11-15T00:00:00Z","timestamp":1731628800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,11,15]],"date-time":"2024-11-15T00:00:00Z","timestamp":1731628800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,11,15]],"date-time":"2024-11-15T00:00:00Z","timestamp":1731628800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100000780","name":"European Commission","doi-asserted-by":"publisher","award":["NextGenerationEU\/PRTR-C17.I1"],"award-info":[{"award-number":["NextGenerationEU\/PRTR-C17.I1"]}],"id":[{"id":"10.13039\/501100000780","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003989","name":"Ikerbasque, Basque Foundation for Science","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003989","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100021105","name":"Donostia International Physics Center","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100021105","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100019124","name":"Diputaci?n Foral de Gipuzkoa","doi-asserted-by":"publisher","award":["QUAN-000021-01"],"award-info":[{"award-number":["QUAN-000021-01"]}],"id":[{"id":"10.13039\/501100019124","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004837","name":"Ministerio de Ciencia e Innovaci?n","doi-asserted-by":"crossref","award":["PID2022-136231NB-I00"],"award-info":[{"award-number":["PID2022-136231NB-I00"]}],"id":[{"id":"10.13039\/501100004837","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2024,11,26]]},"DOI":"10.1021\/acs.jctc.4c00933","type":"journal-article","created":{"date-parts":[[2024,11,16]],"date-time":"2024-11-16T02:34:11Z","timestamp":1731724451000},"page":"9906-9916","source":"Crossref","is-referenced-by-count":3,"title":["Electron\u2013Spin Relaxation in Boron-Doped Graphene Nanoribbons"],"prefix":"10.1021","volume":"20","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8012-1499","authenticated-orcid":true,"given":"Roberto A.","family":"Boto","sequence":"first","affiliation":[{"name":"Donostia International Physics Center DIPC, Paseo Manuel Lardizabal 4, 20018 Donostia-San Sebasti\u00e1n, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antonio","family":"Cebreiro-Gallardo","sequence":"additional","affiliation":[{"name":"Donostia International Physics Center DIPC, Paseo Manuel Lardizabal 4, 20018 Donostia-San Sebasti\u00e1n, Spain"},{"name":"Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia Saila, Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV\/EHU), PK 1072, 20080 Donostia, Euskadi, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rodrigo E.","family":"Mench\u00f3n","sequence":"additional","affiliation":[{"name":"Donostia International Physics Center DIPC, Paseo Manuel Lardizabal 4, 20018 Donostia-San Sebasti\u00e1n, Spain"},{"name":"Facultad de Ciencias Exactas, Ingenier\u00eda y Agrimensura (FCEIA), Universidad Nacional de Rosario (UNR), Rosario 2000, Argentina"},{"name":"Instituto de F\u00edsica Rosario (IFIR), Rosario 2000, Argentina"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8893-7089","authenticated-orcid":true,"given":"David","family":"Casanova","sequence":"additional","affiliation":[{"name":"Donostia International Physics Center DIPC, Paseo Manuel Lardizabal 4, 20018 Donostia-San Sebasti\u00e1n, Spain"},{"name":"IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2024,11,15]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.54.17954"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.97.216803"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nature09211"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.7b03797"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00601"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-04201-y"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-25688-z"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648X\/ac8a7f"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1126\/science.abq6948"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0375-9"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0376-8"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0154-7"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.6b03148"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.125.146801"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.2c05673"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.82.125401"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC02832F"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-36852-y"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms15200"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.73.679"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1098\/rspa.1953.0123"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1147\/rd.11.0019"},{"key":"ref23\/cit23","volume-title":"Principles of magnetic resonance","volume":"1","author":"Slichter C. P.","year":"2013"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1080\/00268976400100161"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-319-22951-5","volume-title":"Magnetic interactions in molecules and solids","author":"de Graaf C.","year":"2016"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.65.205309"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.88.186802"},{"key":"ref28\/cit28","volume-title":"Gaussian 16 Revision B.01","author":"Frisch M. J.","year":"2016"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.460447"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004608"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.78.1396"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.1419058"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.1829047"},{"key":"ref37\/cit37","volume-title":"Recent advances in density functional methods, part I","author":"Barone V.","year":"1996"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.1540619"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.107.224433"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(80)80045-0"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1002\/qua.23107"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.2213976"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/jp0643303"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.4790167"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.4793736"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/b911513g"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1561"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.1696676"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.1696183"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ic980948i"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abn7880"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-023-01082-9"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.4c00933","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.4c00933","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,11,26]],"date-time":"2024-11-26T09:22:26Z","timestamp":1732612946000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.4c00933"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,11,15]]},"references-count":52,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2024,11,26]]}},"alternative-id":["10.1021\/acs.jctc.4c00933"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.4c00933","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,11,15]]}}}