Theoretical Modeling of Mass Spectrometry
Entity
UAM. Departamento de QuímicaPublisher
Institute of Physics PublishingDate
2015-09-07Citation
10.1088/1742-6596/635/7/072060
Journal of Physics: Conference Series 635.7 (2015): 072060
ISSN
1742-6588 (Print); 1742-6596 (Online)DOI
10.1088/1742-6596/635/7/072060Editor's Version
http://dx.doi.org/10.1088/1742-6596/635/7/072060Subjects
Electronic structure; Mass spectrometry; Molecules; Fragmentation process; QuímicaRights
© Published under licence by IOP Publishing Ltd.Abstract
We 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 molecules
Files in this item
Google Scholar:Aguirre, Néstor F.
-
Díaz-Tendero Victoria, Sergio
-
Hervieux, Paul Antoine
-
Alcamí Pertejo, Manuel
-
Martín García, Fernando
This item appears in the following Collection(s)
Related items
Showing items related by title, author, creator and subject.