Publicaciones en colaboración con investigadoras/es de Universitat de Girona (51)

2017

  1. Design of Hückel-Möbius Topological Switches with High Nonlinear Optical Properties

    Journal of Physical Chemistry C, Vol. 121, Núm. 35, pp. 19348-19357

  2. Relevance of the DFT method to study expanded porphyrins with different topologies

    Journal of Computational Chemistry, Vol. 38, Núm. 32, pp. 2819-2828

2011

  1. Evaluation of the nonlinear optical properties for annulenes with Hückel and Möbius topologies

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 12, pp. 3935-3943

2010

  1. O2activation and selective phenolate ortho hydroxylation by an unsymmetric dicopper μη1: η1-peroxido Complex

    Angewandte Chemie - International Edition, Vol. 49, Núm. 13, pp. 2406-2409

  2. Reaction mechanisms for graphene and carbon nanotube fluorination

    Journal of Physical Chemistry C, Vol. 114, Núm. 8, pp. 3340-3345

2009

  1. Accurate Evaluation of Vibrational Nonlinear Optical Properties

    COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2