New features in the ionic states of N2O4: Experimental and theoretical study
Entity
UAM. Departamento de QuímicaPublisher
IOP Publishing Ltd.; Elsevier B.V.Date
2012-12-11Citation
10.1088/1742-6596/388/2/022017
Journal of Physics: Conference Series 388.2 (2012): 022017
ISSN
1742-6588 (print); 1742-6596 (online)DOI
10.1088/1742-6596/388/2/022017Editor's Version
http://dx.doi.org/10.1088/1742-6596/388/2/022017Subjects
QuímicaRights
© Published under licence by IOP Publishing Ltd.; © Copyright 2012 Elsevier B.V.Abstract
We present a combined experimental and theoretical study focused on the ionic states of the N2O4 molecule. Experimental results regarding photoionization induced by the synchrotron radiation SOLEIL in the 13.5-15.5 eV energy range were obtained using the electron-ion velocity vector correlation method. The potential energy curves for the dissociation of the N-N bond were computed within ab initio multireference wave functions based methods (CASSCF and CASPT2) for the first electronic states of N2O 4 and N2O4 +
Files in this item
Google Scholar:Díaz-Tendero Victoria, Sergio
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Elkharrat, C.
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Corral, Inés
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Dowek, Danielle
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