Publikationen, an denen er mitarbeitet MANUELA MERCHAN BONETE (7)

2017

  1. Mechanism of the OH Radical Addition to Adenine from Quantum-Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates

    Journal of Organic Chemistry, Vol. 82, Núm. 1, pp. 276-288

2016

  1. Assessment of the potential energy hypersurfaces in thymine within multiconfigurational theory: CASSCF vs. CASPT2

    Molecules, Vol. 21, Núm. 12

  2. Theoretical study on the excited-state π-stacking versus intermolecular hydrogen-transfer processes in the guanine–cytosine/cytosine trimer

    Theoretical Chemistry Accounts, Vol. 135, Núm. 2, pp. 1-15

2015

  1. 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)

    Journal of Chemical Physics, Vol. 143, Núm. 21

2014

  1. Erratum: Theoretical study of the hydroxyl radical addition to uracil and photochemistry of the formed U6OH• Adduct (Journal of Physical Chemistry B (2014) 118:11 (2932-2939) DOI: 10.1021/jp412347k)

    Journal of Physical Chemistry B

  2. Theoretical study of the hydroxyl radical addition to uracil and photochemistry of the formed U6OH• adduct

    Journal of Physical Chemistry B, Vol. 118, Núm. 11, pp. 2932-2939

2013

  1. 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

    Journal of Chemical Physics, Vol. 139, Núm. 7