Publicaciones en colaboración con investigadores/as de University of Ferrara (6)

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2014

  1. Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

    Journal of Computational Chemistry, Vol. 35, Núm. 8, pp. 611-621

2012

  1. Study of the magnetic microstructure of Ni/NiO nanogranular samples above the electric percolation threshold by magnetoresistance measurements

    Journal of Physics Condensed Matter, Vol. 24, Núm. 30

2007

  1. FORTRAN interface for code interoperability in quantum chemistry: The Q5Cost library

    Journal of Chemical Information and Modeling, Vol. 47, Núm. 3, pp. 1271-1277

  2. The problem of interoperability: A common data format for quantum chemistry codes

    International Journal of Quantum Chemistry

2006

  1. New tyrosinase inhibitors selected by atomic linear indices-based classification models

    Bioorganic and Medicinal Chemistry Letters, Vol. 16, Núm. 2, pp. 324-330