On the N1–H and N3–H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF/CASPT2 Study

The dissociative electron-attachment (DEA) phenomena at the N1–H and N3–H bonds observed experimentally at low energies (

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Bibliographic Details
Published in:Journal of chemical theory and computation 2012-08, Vol.8 (8), p.2769-2776
Main Authors: González-Ramírez, Israel, Segarra-Martí, Javier, Serrano-Andrés, Luis, Merchán, Manuela, Rubio, Mercedes, Roca-Sanjuán, Daniel
Format: Article
Language:English
Online Access:Get full text
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Description
Summary:The dissociative electron-attachment (DEA) phenomena at the N1–H and N3–H bonds observed experimentally at low energies (
ISSN:1549-9618
1549-9626
DOI:10.1021/ct300153f