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On the regioselectivity of the Diels-Alder cycloaddition to C60 in high spin states

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dc.contributor.affiliation"Institut de Química Computacional i Catàlisi (IQCC), Departament de Química, Universitat de Girona, C/Maria Aurèlia Capmany 6, Girona, 17003, Spain"," Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E Young Drive East, Los Angeles, CA 90095, United States"," Departamento de Química Orgánica, Facultad de Química, Universidad Complutense, Avda. Complutense s/n, Madrid, E-28040, Spain"," IMDEA-Nanociencia C/Faraday, 9 Campus de Cantoblanco, Madrid, E-28049, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorEl Bakouri O.
dc.contributor.authorGarcia-Borràs M.
dc.contributor.authorGirón R.M.
dc.contributor.authorFilippone S.
dc.contributor.authorMartín, Nazario
dc.contributor.authorSolà M.
dc.date.accessioned2020-12-04T15:35:56Z
dc.date.available2020-12-04T15:35:56Z
dc.date.issued2018
dc.format.mimetypeapplication/pdfen
dc.identifier.doi10.1039/c7cp07965fen
dc.identifier.urihttp://hdl.handle.net/20.500.12614/1631
dc.journal.titlePhysical Chemistry Chemical Physicsen
dc.language.isoenen
dc.page.initial11577en
dc.relation.projectIDTEMPWe are grateful for financial support from the Spanish Ministerio de Economía y Competitividad (MINECO) for projects CTQ2014-52045-R and CTQ2017-85341-P. N. M. thanks the European Research Council (ERC-320441-Chirallcarbon) and the Comunidad Autónoma de Madrid (FOTOCARBON project S2013/MIT-2841). O. E. B., M. G.-B., and M. S. acknowledge the Catalan DIUE (project 2014SGR931 and XRQTC), and the FEDER fund (UNGI10-4E-801). M. S. is grateful to the Generalitat de Catalunya for the ICREA Academia 2014 Award. M. G.-B. thanks the Spanish MECD for a PhD grant (AP2010-2517) and the Ramón Areces Foundation for a postdoctoral fellowship. O. E. B. is grateful to the Generalitat de Catalunya (grant no. 2014FI_B 00429) and R. M. G. thanks the Spanish MECD for a FPU grant (FPU13/03677). Excellent service from computational centers CSUC and BSC-CNS is acknowledged.
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleOn the regioselectivity of the Diels-Alder cycloaddition to C60 in high spin statesen
dc.typeresearch articleen
dc.type.hasVersionVoRen
dc.volume.number20en
dspace.entity.typePublication

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