{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T11:12:23Z","timestamp":1760267543283,"version":"3.37.3"},"reference-count":34,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2018,7,5]],"date-time":"2018-07-05T00:00:00Z","timestamp":1530748800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"funder":[{"DOI":"10.13039\/501100003329","name":"Ministerio de Econom\u00eda y Competitividad","doi-asserted-by":"publisher","award":["CTQ2014-52367-R"],"award-info":[{"award-number":["CTQ2014-52367-R"]}],"id":[{"id":"10.13039\/501100003329","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Gobierno de Arag\u00f3n","award":["E11"],"award-info":[{"award-number":["E11"]}]},{"name":"European Regional Development Fund","award":["E11"],"award-info":[{"award-number":["E11"]}]},{"DOI":"10.13039\/501100004895","name":"European Social Fund","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004895","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Mol Model"],"published-print":{"date-parts":[[2018,8]]},"DOI":"10.1007\/s00894-018-3737-1","type":"journal-article","created":{"date-parts":[[2018,7,5]],"date-time":"2018-07-05T00:45:20Z","timestamp":1530751520000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Copper-catalyzed cyclopropanation reaction of but-2-ene"],"prefix":"10.1007","volume":"24","author":[{"given":"Beatriz","family":"Angulo","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Clara I.","family":"Herrer\u00edas","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zoel","family":"Hormig\u00f3n","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Antonio","family":"Mayoral","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2010-9540","authenticated-orcid":false,"given":"Luis","family":"Salvatella","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2018,7,5]]},"reference":[{"key":"3737_CR1","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/3-540-48255-5_1","volume":"207","author":"J Sala\u00fcn","year":"2000","unstructured":"Sala\u00fcn J (2000) Top Curr Chem 207:1\u201367. \n                    https:\/\/doi.org\/10.1007\/3-540-48255-5_1","journal-title":"Top Curr Chem"},{"key":"3737_CR2","doi-asserted-by":"publisher","DOI":"10.1002\/9781118978429","volume-title":"Cyclopropanes in organic synthesis","author":"OG Kulinkovich","year":"2015","unstructured":"Kulinkovich OG (2015) Cyclopropanes in organic synthesis. Wiley, Hoboken. \n                    https:\/\/doi.org\/10.1002\/9781118978429"},{"key":"3737_CR3","doi-asserted-by":"publisher","first-page":"977","DOI":"10.1021\/cr010007e","volume":"103","author":"H Lebel","year":"2003","unstructured":"Lebel H, Marcoux J-F, Molinaro C, Charette AB (2003) Chem Rev 103:977\u20131050. \n                    https:\/\/doi.org\/10.1021\/cr010007e","journal-title":"Chem Rev"},{"key":"3737_CR4","doi-asserted-by":"publisher","first-page":"7041","DOI":"10.1016\/j.tet.2008.04.079","volume":"64","author":"H Pellissier","year":"2008","unstructured":"Pellissier H (2008) Tetrahedron 64:7041\u20137095. \n                    https:\/\/doi.org\/10.1016\/j.tet.2008.04.079","journal-title":"Tetrahedron"},{"key":"3737_CR5","doi-asserted-by":"publisher","first-page":"979","DOI":"10.1055\/s-0033-1340838","volume":"46","author":"G Bartoli","year":"2014","unstructured":"Bartoli G, Bencivenni G, Dalpozzo R (2014) Synthesis 46:979\u20131029. \n                    https:\/\/doi.org\/10.1055\/s-0033-1340838","journal-title":"Synthesis"},{"key":"3737_CR6","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-08-097742-3.00426-2","volume-title":"Comprehensive organic synthesis II","author":"JI Garc\u00eda","year":"2014","unstructured":"Garc\u00eda JI, Salvatella L, Pires E, Fraile JM, Mayoral JA (2014) In: Knochel A, Holander GA (eds) Comprehensive organic synthesis II. Elsevier, Amsterdam. \n                    https:\/\/doi.org\/10.1016\/B978-0-08-097742-3.00426-2"},{"key":"3737_CR7","doi-asserted-by":"publisher","DOI":"10.1002\/9783527664573.ch8","volume-title":"Copper-catalyzed asymmetric synthesis","author":"AB Charette","year":"2014","unstructured":"Charette AB, Lebel H, Roy M-N (2014) In: Alexakis A, Krause N, Woodward S (eds) Copper-catalyzed asymmetric synthesis. Wiley-VCH, Weinheim. \n                    https:\/\/doi.org\/10.1002\/9783527664573.ch8"},{"key":"3737_CR8","doi-asserted-by":"publisher","first-page":"2","DOI":"10.1016\/j.jorganchem.2014.10.009","volume":"784","author":"M Besora","year":"2015","unstructured":"Besora M, Braga AAC, Sameera WMC, Urbano J, Fructos MR, P\u00e9rez PJ, Maseras F (2015) J Organomet Chem 784:2\u201312. \n                    https:\/\/doi.org\/10.1016\/j.jorganchem.2014.10.009","journal-title":"J Organomet Chem"},{"key":"3737_CR9","doi-asserted-by":"publisher","first-page":"3300","DOI":"10.1021\/ja00791a038","volume":"95","author":"RG Salomon","year":"1973","unstructured":"Salomon RG, Kochi JK (1973) J Am Chem Soc 95:3300\u20133310. \n                    https:\/\/doi.org\/10.1021\/ja00791a038","journal-title":"J Am Chem Soc"},{"key":"3737_CR10","doi-asserted-by":"publisher","first-page":"2601","DOI":"10.1021\/om990270u","volume":"18","author":"MM D\u00edaz-Requejo","year":"1999","unstructured":"D\u00edaz-Requejo MM, Belderrain TR, Nicasio MC, Prieto F, P\u00e9rez PJ (1999) Organometallics 18:2601\u20132609. \n                    https:\/\/doi.org\/10.1021\/om990270u","journal-title":"Organometallics"},{"key":"3737_CR11","doi-asserted-by":"publisher","first-page":"7616","DOI":"10.1021\/ja003695c","volume":"123","author":"JM Fraile","year":"2001","unstructured":"Fraile JM, Garc\u00eda JI, Mart\u00ednez-Merino V, Mayoral JA, Salvatella L (2001) J Am Chem Soc 123:7616\u20137625. \n                    https:\/\/doi.org\/10.1021\/ja003695c","journal-title":"J Am Chem Soc"},{"key":"3737_CR12","doi-asserted-by":"publisher","first-page":"8830","DOI":"10.1002\/chem.200700681","volume":"13","author":"JM Fraile","year":"2007","unstructured":"Fraile JM, Garc\u00eda JI, Gissibl A, Mayoral JA, Pires E, Reiser O, Rold\u00e1n M, Villalba I (2007) Chem Eur J 13:8830\u20138839. \n                    https:\/\/doi.org\/10.1002\/chem.200700681","journal-title":"Chem Eur J"},{"key":"3737_CR13","doi-asserted-by":"publisher","first-page":"124","DOI":"10.1016\/S0022-328X(03)00520-5","volume":"684","author":"BF Straub","year":"2003","unstructured":"Straub BF, Gruber I, Rominger F, Hofmann P (2003) J Organomet Chem 684:124\u2013143. \n                    https:\/\/doi.org\/10.1016\/S0022-328X(03)00520-5","journal-title":"J Organomet Chem"},{"key":"3737_CR14","doi-asserted-by":"publisher","first-page":"4600","DOI":"10.1021\/om800094k","volume":"27","author":"C \u00d6zen","year":"2008","unstructured":"\u00d6zen C, T\u00fcz\u00fcn N\u015e (2008) Organometallics 27:4600\u20134610. \n                    https:\/\/doi.org\/10.1021\/om800094k","journal-title":"Organometallics"},{"key":"3737_CR15","doi-asserted-by":"publisher","first-page":"193","DOI":"10.1016\/j.theochem.2004.06.050","volume":"711","author":"Q Meng","year":"2004","unstructured":"Meng Q, Li M, Tang D, Shen W, Zhang J (2004) J Mol Struct (THEOCHEM) 711:193\u2013199. \n                    https:\/\/doi.org\/10.1016\/j.theochem.2004.06.050","journal-title":"J Mol Struct (THEOCHEM)"},{"key":"3737_CR16","doi-asserted-by":"publisher","first-page":"5614","DOI":"10.1002\/ejoc.200800762","volume":"2008","author":"G Drudis-Sol\u00e9","year":"2008","unstructured":"Drudis-Sol\u00e9 G, Maseras F, Lled\u00f3s A, Vallribera A, Moreno-Ma\u00f1as M (2008) Eur J Org Chem 2008:5614\u20135621. \n                    https:\/\/doi.org\/10.1002\/ejoc.200800762","journal-title":"Eur J Org Chem"},{"key":"3737_CR17","doi-asserted-by":"publisher","first-page":"177","DOI":"10.1002\/1521-3765(20020104)8:1<177::AID-CHEM177>3.0.CO;2-H","volume":"8","author":"T Rasmussen","year":"2002","unstructured":"Rasmussen T, Jensen JF, \u00d8stergaard N, Tanner D, Ziegler T, Norrby P-O (2002) Chem Eur J 8:177\u2013184. \n                    https:\/\/doi.org\/10.1002\/1521-3765(20020104)8:1<177::AID-CHEM177>3.0.CO;2-H","journal-title":"Chem Eur J"},{"key":"3737_CR18","doi-asserted-by":"publisher","first-page":"529","DOI":"10.1002\/chem.201001262","volume":"17","author":"JI Garc\u00eda","year":"2011","unstructured":"Garc\u00eda JI, Jim\u00e9nez-Os\u00e9s G, Mayoral JA (2011) Chem Eur J 17:529\u2013539. \n                    https:\/\/doi.org\/10.1002\/chem.201001262","journal-title":"Chem Eur J"},{"key":"3737_CR19","doi-asserted-by":"publisher","first-page":"607","DOI":"10.1080\/00268970010023435","volume":"99","author":"AJ Cohen","year":"2001","unstructured":"Cohen AJ, Handy NC (2001) Mol Phys 99:607\u2013615. \n                    https:\/\/doi.org\/10.1080\/00268970010023435","journal-title":"Mol Phys"},{"key":"3737_CR20","doi-asserted-by":"publisher","first-page":"403","DOI":"10.1080\/00268970010018431","volume":"99","author":"NC Handy","year":"2001","unstructured":"Handy NC, Cohen AJ (2001) Mol Phys 99:403\u2013412. \n                    https:\/\/doi.org\/10.1080\/00268970010018431","journal-title":"Mol Phys"},{"key":"3737_CR21","doi-asserted-by":"publisher","first-page":"1444","DOI":"10.1055\/s-0036-1588699","volume":"49","author":"JM Fraile","year":"2017","unstructured":"Fraile JM, Garc\u00eda JI, Herrer\u00edas CI, Pires E (2017) Synthesis 49:1444\u20131460. \n                    https:\/\/doi.org\/10.1055\/s-0036-1588699","journal-title":"Synthesis"},{"key":"3737_CR22","doi-asserted-by":"publisher","first-page":"19417","DOI":"10.1039\/C7RA01017F","volume":"7","author":"B Angulo","year":"2017","unstructured":"Angulo B, Fraile JM, Herrer\u00edas CI, Mayoral JA (2017) RSC Adv 7:19417\u201319424. \n                    https:\/\/doi.org\/10.1039\/c7ra01017f","journal-title":"RSC Adv"},{"key":"3737_CR23","doi-asserted-by":"publisher","first-page":"2209","DOI":"10.1021\/ic010816g","volume":"41","author":"HC Liang","year":"2002","unstructured":"Liang HC, Kim E, Incarvito CD, Rheingold AL, Karlin KD (2002) Inorg Chem 41:2209\u20132212. \n                    https:\/\/doi.org\/10.1021\/ic010816g","journal-title":"Inorg Chem"},{"key":"3737_CR24","volume-title":"Gaussian 09, revision A.02","author":"MJ Frisch","year":"2009","unstructured":"Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas \u00d6, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian 09, revision A.02. Gaussian, Wallingford"},{"key":"3737_CR25","volume-title":"Gaussian 09, revision D.01","author":"MJ Frisch","year":"2013","unstructured":"Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Keith T, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas \u00d6, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2013) Gaussian 09, revision D.01. Gaussian, Wallingford"},{"key":"3737_CR26","doi-asserted-by":"publisher","first-page":"215","DOI":"10.1007\/s00214-007-0310-x","volume":"120","author":"Y Zhao","year":"2008","unstructured":"Zhao Y, Truhlar DG (2008) Theor Chem Accounts 120:215\u2013241. \n                    https:\/\/doi.org\/10.1007\/s00214-007-0310-x","journal-title":"Theor Chem Accounts"},{"key":"3737_CR27","doi-asserted-by":"publisher","first-page":"14157","DOI":"10.1039\/c2dt31159c","volume":"41","author":"B Bozic-Weber","year":"2012","unstructured":"Bozic-Weber B, Chaurin V, Constable EC, Housecroft CE, Meuwly M, Neuburger M, Rudd JA, Sch\u00f6nhofer E, Siegfried L (2012) Dalton Trans 41:14157\u201314169. \n                    https:\/\/doi.org\/10.1039\/C2DT31159C","journal-title":"Dalton Trans"},{"key":"3737_CR28","doi-asserted-by":"publisher","first-page":"404","DOI":"10.1080\/00958972.2015.1132416","volume":"69","author":"G Tamasi","year":"2016","unstructured":"Tamasi G, Bonechi C, Rossi C, Cini R, Magnani A (2016) J Coord Chem 69:404\u2013424. \n                    https:\/\/doi.org\/10.1080\/00958972.2015.1132416","journal-title":"J Coord Chem"},{"key":"3737_CR29","doi-asserted-by":"publisher","first-page":"5523","DOI":"10.1021\/j100377a021","volume":"94","author":"C Gonzalez","year":"1990","unstructured":"Gonzalez C, Schlegel HB (1990) J Phys Chem 94:5523\u20135527. \n                    https:\/\/doi.org\/10.1021\/j100377a021","journal-title":"J Phys Chem"},{"key":"3737_CR30","doi-asserted-by":"publisher","first-page":"2154","DOI":"10.1063\/1.456010","volume":"90","author":"C Gonzalez","year":"1989","unstructured":"Gonzalez C, Schlegel HB (1989) J Chem Phys 90:2154\u20132161. \n                    https:\/\/doi.org\/10.1063\/1.456010","journal-title":"J Chem Phys"},{"key":"3737_CR31","doi-asserted-by":"publisher","first-page":"2380","DOI":"10.1002\/jcc.23073","volume":"33","author":"ML Laury","year":"2012","unstructured":"Laury ML, Carlson MJ, Wilson AK (2012) J Comput Chem 33:2380\u20132387. \n                    https:\/\/doi.org\/10.1002\/jcc.23073","journal-title":"J Comput Chem"},{"key":"3737_CR32","doi-asserted-by":"publisher","first-page":"517","DOI":"10.1515\/zkri-2014-1726","volume":"229","author":"S-Z Hu","year":"2014","unstructured":"Hu S-Z, Zhou Z-H, Xie Z-X, Robertson BE (2014) Z Krist 229:517\u2013523. \n                    https:\/\/doi.org\/10.1515\/zkri-2014-1726","journal-title":"Z Krist"},{"key":"3737_CR33","doi-asserted-by":"publisher","first-page":"5119","DOI":"10.1016\/j.tet.2015.06.002","volume":"71","author":"M Stojanovi\u0107","year":"2015","unstructured":"Stojanovi\u0107 M, Aleksi\u0107 J, Baranac-Stojanovi\u0107 M (2015) Tetrahedron 71:5119\u20135123. \n                    https:\/\/doi.org\/10.1016\/j.tet.2015.06.22","journal-title":"Tetrahedron"},{"key":"3737_CR34","doi-asserted-by":"publisher","first-page":"2720","DOI":"10.1021\/jp030265a","volume":"108","author":"BO Leung","year":"2004","unstructured":"Leung BO, Reid DL, Armstrong DA, Rauk A (2004) J Phys Chem A 108:2720\u20132725. \n                    https:\/\/doi.org\/10.1021\/jp030265a","journal-title":"J Phys Chem A"}],"container-title":["Journal of Molecular Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s00894-018-3737-1\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-018-3737-1.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00894-018-3737-1.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,9,21]],"date-time":"2019-09-21T12:37:32Z","timestamp":1569069452000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s00894-018-3737-1"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,7,5]]},"references-count":34,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2018,8]]}},"alternative-id":["3737"],"URL":"https:\/\/doi.org\/10.1007\/s00894-018-3737-1","relation":{},"ISSN":["1610-2940","0948-5023"],"issn-type":[{"type":"print","value":"1610-2940"},{"type":"electronic","value":"0948-5023"}],"subject":[],"published":{"date-parts":[[2018,7,5]]},"assertion":[{"value":"16 February 2018","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"25 June 2018","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"5 July 2018","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}],"article-number":"195"}}