Publicaciones en colaboración con investigadores/as de University of Bologna (8)

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

2010

  1. High-Spin states in tetrahedral X4 Clusters (X = H, Li, Na, K)

    International Journal of Quantum Chemistry, Vol. 110, Núm. 4, pp. 874-884

2008

  1. Full configuration-lnteraction study on the tetrahedral Li cluster

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 3, pp. 404-413

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

2004

  1. Full configuration interaction calculation of Be3

    Journal of Chemical Physics, Vol. 120, Núm. 18, pp. 8405-8411

  2. Full configuration interaction calculation of singlet excited states of Be3

    Journal of Chemical Physics, Vol. 121, Núm. 15, pp. 7103-7109

1998

  1. Size-consistent self-consistent configuration interaction from a complete active space: Excited states

    Journal of Chemical Physics, Vol. 109, Núm. 19, pp. 8275-8282