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Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations

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dc.contributor.affiliation"Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Narutowicza 11/12, Gdańsk, 80-233, Poland"," Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, United States"," Departamento de Química, Facultad de Ciencias, Módulo 13, Brazil"," Institute for Advanced Research in Chemical Sciences (IAdChem), Universidad Autónoma de Madrid, Madrid, 28049, Spain"," Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, Madrid, 28049, Spain"," Instituto Madrileno de Estudios Avanzados en Nanociencias (IMDEA-Nanociencia), Madrid, 28049, Spain"en
dc.contributor.affiliation000000041762408X
dc.contributor.authorErdmann E.
dc.contributor.authorLabuda M.
dc.contributor.authorAguirre N.F.
dc.contributor.authorDíaz-Tendero S.
dc.contributor.authorAlcamí M.
dc.date.accessioned2020-12-04T15:25:32Z
dc.date.available2020-12-04T15:25:32Z
dc.date.issued2018
dc.identifier.doi10.1021/acs.jpca.8b00881
dc.identifier.urihttp://hdl.handle.net/20.500.12614/1558
dc.journal.titleJournal of Physical Chemistry A
dc.language.isoen
dc.page.initial4153
dc.relation.projectIDTEMPWe gratefully acknowledge financial support from COST Action CM1204 (XLIC), Erasmus Plus Programme (M.Ł.) and Gdańsk University of Technology (M.Ł. and E.E). Molecular calculations have been performed at Academic Computer Centre in Gdańsk (CI TASK), at Wroclaw Centre for Networking and Supercomputing (WCSS), and in the Centro de Computacion Cientifíca of the Universidad Autonoma de Madrid (CCC-UAM). Financial support from the MINECO projects FIS2016-77889-R and CTQ2016-76061-P and through the Maria de Maeztu Programme for Units of Excellence in R&D (MDM-2014-0377), the CAM project NANOFRONTMAG-CM ref S2013/MIT-2850, is also acknowledged. S.D.-T. gratefully acknowledges the “Ramon y Cajal ́ ” program of the Spanish MINECO (RYC-2010-07019)
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 España*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/*
dc.titleFuran Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations
dc.typeresearch article
dc.volume.number122
dspace.entity.typePublication

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