{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T17:33:02Z","timestamp":1760549582357,"version":"3.40.5"},"reference-count":61,"publisher":"American Chemical Society (ACS)","issue":"17","funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["PTDC\/QUI-QUI\/104056\/2008","SFRH\/BPD\/26676\/2006"],"award-info":[{"award-number":["PTDC\/QUI-QUI\/104056\/2008","SFRH\/BPD\/26676\/2006"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Org. Chem."],"published-print":{"date-parts":[[2014,9,5]]},"DOI":"10.1021\/jo501407z","type":"journal-article","created":{"date-parts":[[2014,8,4]],"date-time":"2014-08-04T21:46:01Z","timestamp":1407188761000},"page":"8202-8211","source":"Crossref","is-referenced-by-count":3,"title":["Diels\u2013Alder Reactions of Chiral Isoimidium Salts: A Computational Study"],"prefix":"10.1021","volume":"79","author":[{"given":"Snezhana M.","family":"Bakalova","sequence":"first","affiliation":[{"name":"REQUIMTE,\rCQFB, Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias\re Tecnologia, Universidade Nova Lisboa, 2829-516 Caparica, Portugal"},{"name":"Institute\rof Organic Chemistry, Bulgarian Academy of Sciences, Acad. G.\rBonchev str., block 9, 1113 Sofia, Bulgaria"}]},{"given":"A.","family":"Gil Santos","sequence":"additional","affiliation":[{"name":"REQUIMTE,\rCQFB, Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias\re Tecnologia, Universidade Nova Lisboa, 2829-516 Caparica, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2014,8,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1002\/anie.196700161","volume":"6","author":"Sauer J.","year":"1967","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1002\/anie.198007791","volume":"19","author":"Sauer J.","year":"1980","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1021\/ar00023a008","volume":"25","author":"Dewar M. J. S.","year":"1992","journal-title":"Acc. Chem. Res."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1002\/anie.199206821","volume":"31","author":"Houk K. N.","year":"1992","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1468","DOI":"10.1002\/anie.199014681","volume":"29","author":"Waldmann H.","year":"1990","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"2051","DOI":"10.1021\/cr0783986","volume":"108","author":"Wessig P.","year":"2008","journal-title":"Chem. Rev."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"5359","DOI":"10.1021\/cr078346g","volume":"108","author":"Reymond S.","year":"2008","journal-title":"Chem. Rev."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"2293","DOI":"10.1021\/ol3007138","volume":"14","author":"Zhao C.","year":"2012","journal-title":"Org. Lett."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"922","DOI":"10.1021\/jo902572y","volume":"75","author":"Hayden A. E.","year":"2010","journal-title":"J. Org. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"3112","DOI":"10.1002\/ejoc.201200105","volume":"16","author":"Arndt M.","year":"2012","journal-title":"Eur. J. Org. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"6548","DOI":"10.1002\/chem.201200382","volume":"18","author":"Beckmann H. S. G.","year":"2012","journal-title":"Chem.\u2014Eur. J."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"9335","DOI":"10.1021\/ja1009162","volume":"132","author":"Paton R. S.","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"7472","DOI":"10.1021\/jo801076t","volume":"73","author":"\u00c7elebi-\u00d6l\u00e7\u00fcm. N.","year":"2008","journal-title":"J. Org. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1021\/ar00050a004","volume":"28","author":"Houk K. N.","year":"1995","journal-title":"Acc. Chem. Res."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1021\/ar0000152","volume":"33","author":"Garc\u00eda J. I.","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1002\/ejoc.200400424","author":"Garc\u00eda J. I.","year":"2005","journal-title":"Eur. J. Org. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1002\/jcc.20532","volume":"28","author":"Wannere C. S.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"731","DOI":"10.1016\/S0040-4039(00)02034-7","volume":"42","author":"Toma L.","year":"2001","journal-title":"Tetrahedron Lett."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"554","DOI":"10.1021\/ja00263a059","volume":"108","author":"Houk K. N.","year":"1986","journal-title":"J. Am. Chem. Soc."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"6036","DOI":"10.1021\/ja9601494","volume":"118","author":"Goldstein E.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"7646","DOI":"10.1021\/ja00096a023","volume":"116","author":"Kl\u00e4rner F.-G.","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"9992","DOI":"10.1021\/ja9717525","volume":"119","author":"Branchadell V.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"2337","DOI":"10.1002\/adsc.200600431","volume":"348","author":"Ess D. H.","year":"2006","journal-title":"Adv. Synth. Catal."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"3576","DOI":"10.1039\/b909611f","volume":"7","author":"Domingo L. R.","year":"2009","journal-title":"Org. Biomol. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"5171","DOI":"10.1002\/ejoc.201201754","author":"Bakalova S. M.","year":"2013","journal-title":"Eur. J. Org. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"2557","DOI":"10.1002\/1099-0690(200208)2002:15<2557::AID-EJOC2557>3.0.CO;2-8","author":"Domingo L. R.","year":"2002","journal-title":"Eur. J. Org. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"13939","DOI":"10.1021\/jp068071t","volume":"110","author":"Berski S.","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"6014","DOI":"10.1021\/jp030272z","volume":"107","author":"Berski S.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"4046","DOI":"10.1021\/jp711704m","volume":"112","author":"Domingo L. R.","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2894","DOI":"10.1021\/ol301175z","volume":"14","author":"Yang L.","year":"2012","journal-title":"Org. Lett."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1491","DOI":"10.1021\/ar3000822","volume":"45","author":"Li J.-L.","year":"2012","journal-title":"Acc. Chem. Res."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1021\/ar990123s","volume":"33","author":"Mehta G.","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1055\/s-0029-1217130","volume":"1","author":"Merino P.","year":"2010","journal-title":"Synthesis"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"11616","DOI":"10.1021\/ja054008q","volume":"127","author":"Wilson R. M.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"4703","DOI":"10.1021\/cr100348t","volume":"111","author":"Moyano A.","year":"2011","journal-title":"Chem. Rev."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"4243","DOI":"10.1021\/ja000092s","volume":"122","author":"Ahrendt K. A.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"1450","DOI":"10.1002\/anie.200704688","volume":"47","author":"de Figueiredo R. M.","year":"2008","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"1774","DOI":"10.1016\/j.tet.2011.12.041","volume":"68","author":"Seki C.","year":"2012","journal-title":"Tetrahedron"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"8475","DOI":"10.1021\/jo049298s","volume":"69","author":"Bakalova S. M.","year":"2004","journal-title":"J. Org. Chem."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"1779","DOI":"10.1002\/ejoc.200500809","author":"Bakalova S. M.","year":"2006","journal-title":"Eur. J. Org. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"4528","DOI":"10.1021\/ja070686w","volume":"129","author":"\u00c7elebi-\u00d6l\u00e7\u00fcm N.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"5042","DOI":"10.1021\/cr100212h","volume":"111","author":"Cheong P. H.-Y.","year":"2011","journal-title":"Chem. Rev."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"7665","DOI":"10.1002\/chem.200900628","volume":"15","author":"Bakalova S. M.","year":"2009","journal-title":"Chem.\u2014Eur. J."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"3252","DOI":"10.1021\/jo300005e","volume":"77","author":"Duarte F. J. S.","year":"2012","journal-title":"J. Org. Chem."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"4524","DOI":"10.1021\/ol101831b","volume":"12","author":"Boeckman R. K.","year":"2010","journal-title":"Org. Lett."},{"key":"ref46\/cit46","first-page":"1899","volume":"12","author":"Gnas Y.","year":"2006","journal-title":"Synthesis"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"1238","DOI":"10.1021\/ja00212a037","volume":"110","author":"Evans D. A.","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"6997","DOI":"10.1021\/jo201318f","volume":"17","author":"Duarte F. S. J.","year":"2011","journal-title":"J. Org. Chem."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"3543","DOI":"10.1021\/ja0525859","volume":"128","author":"Gordillo R.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"4841","DOI":"10.1002\/ejoc.201000479","author":"Georgieva M. K.","year":"2010","journal-title":"Eur. J. Org. Chem."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"6770","DOI":"10.1021\/jo901473h","volume":"74","author":"Hayden A. E.","year":"2009","journal-title":"J. Org. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"5108","DOI":"10.1039\/c3cp44319a","volume":"15","author":"Linder M.","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"6563","DOI":"10.1021\/jo301176t","volume":"77","author":"Linder M.","year":"2012","journal-title":"J. Org. Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1021\/ol202913w","volume":"14","author":"Linder M.","year":"2012","journal-title":"Org. Lett."},{"key":"ref55\/cit55","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A.; Peralta, Jr., J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, J.; Foresman, B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J.Gaussian 09, RevisionB.01;Gaussian, Inc.,Wallingford, CT, 2010."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","DOI":"10.1002\/3527600043","volume-title":"A Chemist\u2019s Guide to Density Functional Theory","author":"Koch W.","year":"2001","edition":"2"},{"volume-title":"Density Functional Theory of Atoms and Molecules","year":"1989","author":"Parr R. G.","key":"ref57\/cit57"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Zhao Y.","year":"2008","journal-title":"Theor. Chem. Acc."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"2999","DOI":"10.1021\/cr9904009","volume":"105","author":"Tomasi J.","year":"2005","journal-title":"Chem. Rev."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"034108","DOI":"10.1063\/1.2148954","volume":"124","author":"Grimme S.","year":"2006","journal-title":"J. Chem. Phys."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"4398","DOI":"10.1039\/b608478h","volume":"8","author":"Schwabe T.","year":"2006","journal-title":"Phys. Chem. Chem. Phys."}],"container-title":["The Journal of Organic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jo501407z","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T16:59:38Z","timestamp":1682269178000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jo501407z"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,8,13]]},"references-count":61,"journal-issue":{"issue":"17","published-print":{"date-parts":[[2014,9,5]]}},"alternative-id":["10.1021\/jo501407z"],"URL":"https:\/\/doi.org\/10.1021\/jo501407z","relation":{},"ISSN":["0022-3263","1520-6904"],"issn-type":[{"type":"print","value":"0022-3263"},{"type":"electronic","value":"1520-6904"}],"subject":[],"published":{"date-parts":[[2014,8,13]]}}}