{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,13]],"date-time":"2026-04-13T15:40:08Z","timestamp":1776094808085,"version":"3.50.1"},"reference-count":70,"publisher":"American Chemical Society (ACS)","issue":"37","license":[{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T00:00:00Z","timestamp":1662508800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology, Ministry of Science and Technology","doi-asserted-by":"publisher","award":["DST\/INSPIRE\/04\/2016\/001948"],"award-info":[{"award-number":["DST\/INSPIRE\/04\/2016\/001948"]}],"id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100018763","name":"Thapar Institute of Engineering and Technology","doi-asserted-by":"publisher","award":["TU\/DORSP\/57\/7278"],"award-info":[{"award-number":["TU\/DORSP\/57\/7278"]}],"id":[{"id":"10.13039\/501100018763","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Inorg. Chem."],"published-print":{"date-parts":[[2022,9,19]]},"DOI":"10.1021\/acs.inorgchem.2c01504","type":"journal-article","created":{"date-parts":[[2022,9,7]],"date-time":"2022-09-07T12:01:26Z","timestamp":1662552086000},"page":"14582-14590","source":"Crossref","is-referenced-by-count":9,"title":["Role of \u201cS\u201d Substitution on C\u2013H Activation Reactivity of Iron(IV)\u2013Oxo Cyclam Complexes: a Computational Investigation"],"prefix":"10.1021","volume":"61","author":[{"given":"Lovleen","family":"Kaur","sequence":"first","affiliation":[{"name":"School of Chemistry and Biochemistry, Thapar Institute of Engineering and Technology, Patiala 147004, Punjab, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9452-6729","authenticated-orcid":true,"given":"Debasish","family":"Mandal","sequence":"additional","affiliation":[{"name":"School of Chemistry and Biochemistry, Thapar Institute of Engineering and Technology, Patiala 147004, Punjab, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2022,9,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/s11144-021-02008-6"},{"key":"ref2\/cit2","volume-title":"Metal\u2013Oxo and Metal\u2013Peroxo Species in Catalytic Oxidations","author":"Schwarz H.","year":"2000"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ja511757j"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1002\/adsc.202001590"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ar400258p"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200901362"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s00775-009-0607-4"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24010078"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2012.08.002"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.638"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2006.01.014"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/ange.202009347"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25040880"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201601396"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/ijch.201700050"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.5b00861"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ic502786y"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200802219"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1126\/science.299.5609.1037"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2010.03.007"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ar3000019"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/c3sc52755g"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1039\/c3dt50750e"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ic3006597"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/b508004e"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ja8022576"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200701739"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2012.06.002"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201904975"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2020.213397"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0709471104"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ja509465w"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1002\/asia.201000586"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1039\/b702158e"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2020.04.002"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1126\/science.1096897"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0507069102"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202015814"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202001818"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201500644"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1039\/c3cc47148a"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jp208230g"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ja107514f"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.ica.2008.04.018"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1039\/d1cc00250c"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ar990028j"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201701486"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.464304"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1103\/physrevb.37.785"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ct500522d"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/jp807643p"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.448975"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/ja9920967"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ct7001418"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jz201224x"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b12077"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.7b00442"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24757"},{"key":"ref60\/cit60","unstructured":"Frisch, M. J. Gaussian 16, Revision B.01; Gaussian, Inc.: Wallingford CT, 2016. Full citation is available in the Supporting Information."},{"key":"ref61\/cit61","unstructured":"Andrienko, G. A. Chemcraft Molecular Visualization Program, Version 1.8 (build 445)."},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jp111210c"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ar100093z"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ar300204y"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201001850"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/ja065365j"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201000004"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp00080j"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/ja3046298"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.943"}],"container-title":["Inorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.inorgchem.2c01504","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.inorgchem.2c01504","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T01:13:40Z","timestamp":1682471620000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.inorgchem.2c01504"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,7]]},"references-count":70,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2022,9,19]]}},"alternative-id":["10.1021\/acs.inorgchem.2c01504"],"URL":"https:\/\/doi.org\/10.1021\/acs.inorgchem.2c01504","relation":{},"ISSN":["0020-1669","1520-510X"],"issn-type":[{"value":"0020-1669","type":"print"},{"value":"1520-510X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,7]]}}}