Publicaciones en colaboración con investigadores/as de Universidad de Alcalá (4)

2013

  1. Proton/hydrogen transfer mechanisms in the guanine-cytosine base pair: Photostability and tautomerism

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 1, pp. 481-496

2004

  1. A theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from π, π* triplet donors to 1,3,5,7-cyclooctatetraene

    Journal of Chemical Physics, Vol. 120, Núm. 3, pp. 1208-1216

2003

  1. Theoretical determination of the singlet → singlet and singlet → triplet electronic spectra, lowest ionization potentials, and electron affinity of cyclooctatetraene

    Journal of Physical Chemistry A, Vol. 107, Núm. 28, pp. 5472-5478

2002

  1. Cyclooctatetraene computational photo- and thermal chemistry: A reactivity model for conjugated hydrocarbons

    Journal of the American Chemical Society, Vol. 124, Núm. 46, pp. 13770-13789