{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T19:29:33Z","timestamp":1774553373610,"version":"3.50.1"},"reference-count":69,"publisher":"Royal Society of Chemistry (RSC)","issue":"11","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Dalton Trans."],"published-print":{"date-parts":[[2006]]},"DOI":"10.1039\/b515484g","type":"journal-article","created":{"date-parts":[[2006,1,20]],"date-time":"2006-01-20T12:27:24Z","timestamp":1137760044000},"page":"1383","source":"Crossref","is-referenced-by-count":98,"title":["Olefin epoxidation with tert-butyl hydroperoxide catalyzed by MoO2X2L complexes: a DFT mechanistic study"],"prefix":"10.1039","author":[{"given":"Lu\u00eds F.","family":"Veiros","sequence":"first","affiliation":[]},{"given":"\u00c2ngela","family":"Prazeres","sequence":"additional","affiliation":[]},{"given":"Paulo J.","family":"Costa","sequence":"additional","affiliation":[]},{"given":"Carlos C.","family":"Rom\u00e3o","sequence":"additional","affiliation":[]},{"given":"Fritz E.","family":"K\u00fchn","sequence":"additional","affiliation":[]},{"given":"Maria","family":"Jos\u00e9 Calhorda","sequence":"additional","affiliation":[]}],"member":"292","reference":[{"key":"b515484g-(cit1a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2169","DOI":"10.1039\/dt9910002169","author":"Kumar","year":"1991","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"b515484g-(cit1b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1039\/C39900000531","author":"Palanca","year":"1990","journal-title":"J. Chem. Soc., Chem. Commun."},{"key":"b515484g-(cit1c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3379","DOI":"10.1021\/ja00506a044","volume":"101","author":"Wilshire","year":"1979","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit1d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"925","DOI":"10.1021\/ja00290a030","volume":"107","author":"Berg","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit1e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7856","DOI":"10.1021\/ja00284a073","volume":"108","author":"Caradonna","year":"1986","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit1f)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3920","DOI":"10.1021\/om00008a043","volume":"14","author":"Feher","year":"1995","journal-title":"Organometallics"},{"key":"b515484g-(cit1g)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1221","DOI":"10.1039\/DT9950001221","author":"Clarke","year":"1995","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"b515484g-(cit1h)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1489","DOI":"10.1039\/dt9950001489","author":"Backhouse","year":"1995","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"b515484g-(cit1i)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3329","DOI":"10.1039\/dt9950003329","author":"Piarulli","year":"1995","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"b515484g-(cit2b)\/*[position()=1]","first-page":"183","volume":"94","author":"Krauss","year":"1961","journal-title":"Chem. Ber."},{"key":"b515484g-(cit2c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1764","DOI":"10.1039\/J19690001764","author":"Fenn","year":"1969","journal-title":"J. Chem. Soc. A"},{"key":"b515484g-(cit2f)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1016\/0040-4020(70)85005-0","volume":"26","author":"Mimoun","year":"1970","journal-title":"Tetrahedron"},{"key":"b515484g-(cit2g)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1021\/ja00756a062","volume":"94","author":"Sharpless","year":"1972","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit2h)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1016\/S1381-1169(00)00065-0","volume":"158","author":"Yudanov","year":"2000","journal-title":"J. Mol. Catal."},{"key":"b515484g-(cit2i)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1021\/ja002697u","volume":"123","author":"Mitchell","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit2k)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3237","DOI":"10.1002\/(SICI)1521-3765(19991105)5:11<3237::AID-CHEM3237>3.0.CO;2-O","volume":"5","author":"Wahl","year":"1999","journal-title":"Chem.\u2013Eur. J."},{"key":"b515484g-(cit2l)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1107","DOI":"10.1002\/(SICI)1099-0682(200005)2000:5<1107::AID-EJIC1107>3.0.CO;2-E","author":"Hroch","year":"2000","journal-title":"Eur. J. Inorg. Chem."},{"key":"b515484g-(cit2m)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1007\/978-94-009-8371-7_1","volume":"4","author":"Sheldon","year":"1981","journal-title":"Aspects Homogeneous Catal."},{"key":"b515484g-(cit2n)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"418","DOI":"10.1021\/ba-1968-0076.ch057","volume":"76","author":"Sheng","year":"1968","journal-title":"Adv. Chem. Ser."},{"key":"b515484g-(cit2o)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/0022-328X(83)85059-1","volume":"250","author":"Chaumette","year":"1983","journal-title":"J. Organomet. Chem."},{"key":"b515484g-(cit3a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0022-328X(99)00102-3","volume":"583","author":"K\u00fchn","year":"1999","journal-title":"J. Organomet. Chem."},{"key":"b515484g-(cit3b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1016\/S1381-1169(99)00262-9","volume":"151","author":"K\u00fchn","year":"2000","journal-title":"J. Mol. Catal. A: Chem."},{"key":"b515484g-(cit3d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/S1381-1169(00)00200-4","volume":"164","author":"K\u00fchn","year":"2000","journal-title":"J. Mol. Catal. A: Chem."},{"key":"b515484g-(cit3e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1002\/1099-0739(200101)15:1<43::AID-AOC121>3.0.CO;2-I","volume":"15","author":"K\u00fchn","year":"2001","journal-title":"Appl. Organomet. Chem."},{"key":"b515484g-(cit3f)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/S0022-328X(00)00774-9","volume":"621","author":"K\u00fchn","year":"2001","journal-title":"J. Organomet. Chem."},{"key":"b515484g-(cit3g)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1332","DOI":"10.1039\/b009202i","author":"Santos","year":"2001","journal-title":"J. Chem. Soc., Dalton Trans."},{"key":"b515484g-(cit3h)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0022-328X(00)00790-7","volume":"626","author":"Gon\u00e7alves","year":"2001","journal-title":"J. Organomet. Chem."},{"key":"b515484g-(cit3i)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1716","DOI":"10.1002\/ejic.200400852","author":"Al-Ajlouni","year":"2005","journal-title":"Eur. J. Inorg. Chem."},{"key":"b515484g-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1016\/S1381-1169(96)00381-0","volume":"117","author":"Herrmann","year":"1997","journal-title":"J. Mol. Catal."},{"key":"b515484g-(cit5a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9231","DOI":"10.1021\/jp011328x","volume":"105","author":"Macchi","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"b515484g-(cit5b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2469","DOI":"10.1039\/b006280o","author":"Deubel","year":"2000","journal-title":"Chem. Commun."},{"key":"b515484g-(cit5c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2314","DOI":"10.1021\/ic000204g","volume":"39","author":"Deubel","year":"2000","journal-title":"Inorg. Chem."},{"key":"b515484g-(cit5d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10101","DOI":"10.1021\/ja0006649","volume":"122","author":"Deubel","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit5e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10085","DOI":"10.1021\/ja003733s","volume":"123","author":"Deubel","year":"2001","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2370","DOI":"10.1002\/1521-3765(20020517)8:10<2370::AID-CHEM2370>3.0.CO;2-A","volume":"8","author":"K\u00fchn","year":"2002","journal-title":"Chem.\u2013Eur. J."},{"key":"b515484g-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1083","DOI":"10.1016\/0040-4020(68)88057-3","volume":"24","author":"Wiberg","year":"1968","journal-title":"Tetrahedron"},{"key":"b515484g-(cit10a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/0166-1280(88)80248-3","volume":"169","author":"Carpenter","year":"1988","journal-title":"J. Mol. Struct. (THEOCHEM)"},{"key":"b515484g-(cit10c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7211","DOI":"10.1021\/ja00544a007","volume":"102","author":"Foster","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"b515484g-(cit10d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4066","DOI":"10.1063\/1.445134","volume":"78","author":"Reed","year":"1983","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit10e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1736","DOI":"10.1063\/1.445134","volume":"78","author":"Reed","year":"1983","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit10f)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"735","DOI":"10.1063\/1.449486","volume":"83","author":"Reed","year":"1985","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit10g)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/cr00088a005","volume":"88","author":"Reed","year":"1988","journal-title":"Chem. Rev."},{"key":"b515484g-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1021\/ar0400140","volume":"37","author":"Deubel","year":"2004","journal-title":"Acc. Chem. Res."},{"key":"b515484g-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/S0022-328X(02)01134-8","volume":"649","author":"Groarke","year":"2002","journal-title":"J. Organomet. Chem."},{"key":"b515484g-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4468","DOI":"10.1021\/ic0200085","volume":"41","author":"K\u00fchn","year":"2002","journal-title":"Inorg. Chem."},{"key":"b515484g-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4278","DOI":"10.1002\/ejic.200400331","author":"Brito","year":"2004","journal-title":"Eur. J. Inorg. Chem."},{"key":"b515484g-(cit16)\/*[position()=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":"b515484g-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1016\/0009-2614(89)87234-3","volume":"157","author":"Miehlich","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"b515484g-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys. Rev. B"},{"key":"b515484g-(cit19b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1063\/1.448799","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit19c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1063\/1.448800","volume":"82","author":"Wadt","year":"1985","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit19d)\/*[position()=1]","first-page":"2299","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/0009-2614(93)80086-5","volume":"208","author":"Ehlers","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"b515484g-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1016\/0009-2614(93)89068-S","volume":"208","author":"H\u00f6llwarth","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"b515484g-(cit22a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"724","DOI":"10.1063\/1.1674902","volume":"54","author":"Ditchfield","year":"1971","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit22b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2257","DOI":"10.1063\/1.1677527","volume":"56","author":"Hehre","year":"1972","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit22c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1080\/00268977400100171","volume":"27","author":"Hariharan","year":"1974","journal-title":"Mol. Phys."},{"key":"b515484g-(cit22d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/0009-2614(80)80628-2","volume":"76","author":"Gordon","year":"1980","journal-title":"Chem. Phys. Lett."},{"key":"b515484g-(cit22e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/BF00533485","volume":"28","author":"Hariharan","year":"1973","journal-title":"Theor. Chim. Acta"},{"key":"b515484g-(cit23a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1080\/00268979300100801","volume":"78","author":"Haeusermann","year":"1993","journal-title":"Mol. Phys."},{"key":"b515484g-(cit23b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7535","DOI":"10.1063\/1.466847","volume":"100","author":"Kuechle","year":"1994","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit23c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1052","DOI":"10.1063\/1.471950","volume":"105","author":"Leininger","year":"1996","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24a)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5639","DOI":"10.1063\/1.438980","volume":"72","author":"McClean","year":"1980","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24b)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1063\/1.438955","volume":"72","author":"Krishnan","year":"1980","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24c)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1033","DOI":"10.1063\/1.1673095","volume":"52","author":"Wachters","year":"1970","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24d)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4377","DOI":"10.1063\/1.433731","volume":"66","author":"Hay","year":"1977","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24e)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1062","DOI":"10.1063\/1.457230","volume":"91","author":"Raghavachari","year":"1989","journal-title":"J. Chem. Phys."},{"key":"b515484g-(cit24f)\/*[position()=1]","first-page":"6104","volume":"103","author":"Binning","year":"1995","journal-title":"J. Comput. Chem."},{"key":"b515484g-(cit24g)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1063\/1.460367","volume":"94","author":"McGrath","year":"1991","journal-title":"J. Chem. Phys."}],"container-title":["Dalton Transactions"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2006\/DT\/B515484G","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T12:08:19Z","timestamp":1713355699000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=b515484g"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006]]},"references-count":69,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2006]]}},"URL":"https:\/\/doi.org\/10.1039\/b515484g","relation":{},"ISSN":["1477-9226","1477-9234"],"issn-type":[{"value":"1477-9226","type":"print"},{"value":"1477-9234","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006]]}}}