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Hydrogenation of C24carbon clusters: Structural diversity and energetic properties

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dc.contributor.affiliation"Departamento de Química, Universidad Autónoma de Madrid, Madrid, 28049, Spain"," Laboratoire de Chimie et Physique Quantiques (LCPQ), Fédération FeRMI, Université Toulouse UT3 and CNRS, UMR5626, Toulouse, F-31062, France"," Laboratoire Collisions Agrégats et Réactivité (LCAR), Université de Toulouse (UPS), CNRS, UMR5589, Toulouse, F-31062, France"," Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEANanociencia), Madrid, 28049, Spain"," Institute for Advanced Research in Chemical Sciences (IAdChem), Universidad Autónoma de Madrid, Madrid, 28049, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorPla P.
dc.contributor.authorDubosq C.
dc.contributor.authorRapacioli M.
dc.contributor.authorPosenitskiy E.
dc.contributor.authorAlcamí M.
dc.contributor.authorSimon A.
dc.date.accessioned2021-08-31T10:36:10Z
dc.date.available2021-08-31T10:36:10Z
dc.date.issued2021
dc.identifier.doi10.1021/acs.jpca.1c02359en
dc.identifier.urihttp://hdl.handle.net/20.500.12614/2686
dc.journal.titleJournal of Physical Chemistry Aen
dc.language.isoenen
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/722346/EU/The Extensive and Ubiquitous Role of Polycyclic Aromatic Hydrocarbons (PAHs) in Space/EUROPAHen
dc.relation.projectIDinfo:eu-repo/grantAgreement/ANR//ANR-16-CE29-0025/FR/Probing the diversity of Astrophysically relevant Carbon and HYdrogen NanOparticles/PACHYNOen
dc.relation.projectIDTEMPThe authors gratefully acknowledge financial support by the Agence Nationale de la Recherche (ANR), Grant No. ANR- 16-CE29-0025, the Spanish MICINN (PID2019-110091GBI00), and the Severo Ochoa Program for Centres of Excellence in R&D (SEV-2016-0686). P.P. thanks the Spanish MECD for a FPU grant. E.P. acknowledges the European Union (EU) and Horizon 2020 funding awarded under the Marie Sk?odowska-Curie action to the EUROPAH consortium, Grant Number 722346. The authors also thank the computing mesocenter CALMIP (UMS CNRS 3667) for generous allocation of computer resources (p0059 and p17002).
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.accessRightsopen accessen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleHydrogenation of C24carbon clusters: Structural diversity and energetic propertiesen
dc.typeresearch articleen
dspace.entity.typePublication

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