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Theoretical Modeling of Mass Spectrometry

dc.contributor.authorAguirre, Néstor F.
dc.contributor.authorDíaz-Tendero Victoria, Sergio 
dc.contributor.authorHervieux, Paul Antoine
dc.contributor.authorAlcamí Pertejo, Manuel 
dc.contributor.authorMartín García, Fernando 
dc.contributor.otherUAM. Departamento de Químicaes_ES
dc.date.accessioned2016-09-05T16:54:00Z
dc.date.available2016-09-05T16:54:00Z
dc.date.issued2015-09-07
dc.identifier.citationJournal of Physics: Conference Series 635.7 (2015): 072060en_US
dc.identifier.issn1742-6588 (Print)es_ES
dc.identifier.issn1742-6596 (Online)es_ES
dc.identifier.urihttp://hdl.handle.net/10486/672632
dc.description.abstractWe present an implementation of the Microcanonical Metropolis Monte Carlo method based on statistical mechanics and electronic structure calculations. The method is designed to study any kind of fragmentation process. Here we show its capabilities to predict mass spectra of simple moleculesen_US
dc.format.extent1 pag.es_ES
dc.format.mimetypeapplication/pdfen
dc.language.isoengen
dc.publisherInstitute of Physics Publishingen_US
dc.relation.ispartofJournal of Physics: Conference Seriesen_US
dc.rights© Published under licence by IOP Publishing Ltd.en_US
dc.subject.otherElectronic structureen_US
dc.subject.otherMass spectrometryen_US
dc.subject.otherMoleculesen_US
dc.subject.otherFragmentation processen_US
dc.titleTheoretical Modeling of Mass Spectrometryen_US
dc.typearticleen
dc.subject.ecienciaQuímicaes_ES
dc.relation.publisherversionhttp://dx.doi.org/10.1088/1742-6596/635/7/072060es_ES
dc.identifier.doi10.1088/1742-6596/635/7/072060es_ES
dc.identifier.publicationfirstpage1es_ES
dc.identifier.publicationissue7es_ES
dc.identifier.publicationlastpage1es_ES
dc.identifier.publicationvolume635es_ES
dc.type.versioninfo:eu-repo/semantics/publishedVersionen
dc.rights.ccReconocimientoes_ES
dc.rights.accessRightsopenAccessen
dc.authorUAMAlcami Pertejo, Manuel (259527)
dc.facultadUAMFacultad de Ciencias
dc.institutoUAMCentro de Investigación en Física de la Materia Condensada (IFIMAC)


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