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IOP Publishing, Journal of Physics: Conference Series, 11(635), p. 112094, 2015

DOI: 10.1088/1742-6596/635/11/112094

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X-ray induced fragmentation dynamics of doubly charged L-alanine in gas phase

Journal article published in 2015 by Yang Wang, Helena Levola, Estefanía Rossich, Dariusz Piekarski, Sergio Díaz-Tendero, Edwin Kukk, Manuel Alcamí, Fernando Martín ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The molecular fragmentation of doubly charged L-alanine in gas phase was studied in radiation synchrotron experiments. In this presentation, we summarize our theoretical study on the dynamics of this fragmentation, using various computational methods. We show that in practice the ground state MD simulations are able to statistically reproduce the experimental results of the photo-fragmentation initiated at the excited state.