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Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

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dc.contributor.affiliation"École Polytechnique Fédérale de Lausanne, EPFL SB-ISIC-LCBC-BCH, 1015 Lausanne, Switzerland"," IMPMC UMR-CNRS 7590, Université Pierre et Marie Curie, 4 place Jussieu, 75005 Paris, France"," École Normale Supérieure, Département de Chimie, UMR 8640 CNRS-ENS-UPMC, 75005 Paris, France"," LAMBE, UMR-CNRS 8587, Université d'Evry val d'Essonne, Blvd F. Mitterrand, 91025 Evry, France"," Institut Universitaire de France, 103 Blvd St Michel, 75005 Paris, France"," CESR, Université de Toulouse, UPS, 31028 Toulouse Cedex 9, France"," CNRS, UMR5187, F-31028 Toulouse, France"," Laboratoire Collisions, Agrégats, Réactivité, Université de Toulouse, UPS, 31062 Toulouse, France"," CNRS, UMR 5589, F-31062 Toulouse, France"," Departamento de Qí'mica, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid, Spain"," Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA-Nanociencia), Cantoblanco, 28049 Madrid, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorLópez-Tarifa P.
dc.contributor.authorHervé du Penhoat M.-A.
dc.contributor.authorVuilleumier R.
dc.contributor.authorGaigeot M.-P.
dc.contributor.authorRothlisberger U.
dc.contributor.authorTavernelli I.
dc.contributor.authorLe Padellec A.
dc.contributor.authorChampeaux J.-P.
dc.contributor.authorAlcamí M.
dc.contributor.authorMoretto-Capelle P.
dc.contributor.authorMartín, Fernando
dc.contributor.authorPolitis M.-F.
dc.date.accessioned2020-12-15T12:32:00Z
dc.date.available2020-12-15T12:32:00Z
dc.date.issued2014
dc.identifier.doi10.2478/s11534-014-0428-0
dc.identifier.urihttp://hdl.handle.net/20.500.12614/2319
dc.journal.titleCentral European Journal of Physics
dc.language.isoen
dc.page.initial97
dc.relation.projectIDTEMPThis paper was intended for the special issue associated to the annual meeting of the COST Action CM0702 held in Cluj-Napoca, Romania between 21-23 March 2012. This work was performed using HPC resources from Mare Nostrum BSC, CCC-UAM, CCR UPMC and GENCI - CINES/IDRIS grant 2010-085014. We thank the support of the MICINN projects FIS2010-15127, CTQ2010-17006, ACI2008-0777, and CSD 2007-00010, the CAM project S2009/MAT1726, the COST Action CM0702, the Picasso project HF2007-0067, and HPC Europa2. P. López-Tarifa, I. Tavernelli and U. Röthlisberger also acknowledge the Swiss NSF through the NCCR MUST interdisciplinary research program. P. López-Tarifa also thanks the FP7 Marie Curie COFUND Action.
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleTime-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase
dc.typeresearch article
dc.volume.number12
dspace.entity.typePublication
relation.isAuthorOfPublication23d66601-f50b-4d29-aa9c-5effea58cfdf
relation.isAuthorOfPublication.latestForDiscovery23d66601-f50b-4d29-aa9c-5effea58cfdf

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