Manuela Merchán
Affiliations: | Institute of Molecular Science | University of Valencia, Spain, Valencia, Comunidad Valenciana, Spain |
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Sign in to add trainee| Gloria Olaso González | grad student | 2009 | University of Valencia, Spain |
| Juan José Serrano | grad student | 2009 | University of Valencia, Spain, |
| Daniel Roca-Sanjuán | grad student | 2004-2009 | University of Valencia, Spain |
| Angelo Giussani | grad student | 2014 | University of Valencia, Spain |
| Javier Segarra-Martí | grad student | 2014 | University of Valencia, Spain |
| Antonio Francés-Monerris | grad student | 2017 | University of Valencia, Spain |
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Publications
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| Francés-Monerris A, Merchán M, Roca-Sanjuán D. (2016) Mechanism of the OH Radical Addition to Adenine from Quantum-Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates. The Journal of Organic Chemistry. 82: 276-288 |
| Segarra-Martí J, Francés-Monerris A, Roca-Sanjuán D, et al. (2016) Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2. Molecules (Basel, Switzerland). 21 |
| Francés-Monerris A, Segarra-Martí J, Merchán M, et al. (2016) Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV). The Journal of Chemical Physics. 143: 215101 |
| González-Luque R, Climent T, González-Ramírez I, et al. (2015) Singlet-Triplet States Interaction Regions in DNA/RNA Nucleobase Hypersurfaces. Journal of Chemical Theory and Computation. 6: 2103-14 |
| Giussani A, Segarra-Martí J, Roca-Sanjuán D, et al. (2015) Excitation of nucleobases from a computational perspective I: reaction paths. Topics in Current Chemistry. 355: 57-97 |
| Giussani A, Merchán M, Gobbo JP, et al. (2014) Relaxation Mechanisms of 5-Azacytosine. Journal of Chemical Theory and Computation. 10: 3915-24 |
| Francés-Monerris A, Merchán M, Roca-Sanjuán D. (2014) Theoretical study of the hydroxyl radical addition to uracil and photochemistry of the formed U6OH• adduct. The Journal of Physical Chemistry. B. 118: 2932-9 |
| Francés-Monerris A, Merchán M, Roca-Sanjuán D. (2014) Communication: Electronic UV-Vis transient spectra of the ∙OH reaction products of uracil, thymine, cytosine, and 5,6-dihydrouracil by using the complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory. The Journal of Chemical Physics. 139: 071101 |
| Sauri V, Gobbo JP, Serrano-Pérez JJ, et al. (2013) Proton/Hydrogen Transfer Mechanisms in the Guanine-Cytosine Base Pair: Photostability and Tautomerism. Journal of Chemical Theory and Computation. 9: 481-96 |
| Giussani A, Serrano-Andrés L, Merchán M, et al. (2013) Photoinduced formation mechanism of the thymine-thymine (6-4) adduct. The Journal of Physical Chemistry. B. 117: 1999-2004 |