Publicaciones en colaboración con investigadores/as de University of Modena and Reggio Emilia (14)

2015

  1. π-Ring currents in doped coronenes with nitrogen and boron: Diatropic-paratropic duality

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 38, pp. 24885-24894

2014

  1. The Dalton quantum chemistry program system

    Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284

2010

  1. Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 23, pp. 6163-6170

  2. Magnetic field-induced alignment of molecular rotor-shaped cyclophanes

    Journal of Physical Chemistry Letters, Vol. 1, Núm. 9, pp. 1463-1467

2009

  1. Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene

    Journal of Computational Chemistry, Vol. 30, Núm. 4, pp. 551-564

2008

  1. Electronic structure of the ground and excited states of β-carboline

    ChemPhysChem, Vol. 9, Núm. 6, pp. 896-901

2006

  1. Diatropicity of tetraazanaphthalenes

    Journal of Computational Chemistry, Vol. 27, Núm. 16, pp. 1980-1989

  2. From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures

    ChemPhysChem, Vol. 7, Núm. 1, pp. 240-244

  3. Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers

    Journal of Computational Chemistry, Vol. 27, Núm. 3, pp. 344-351

2005

  1. Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. III. Thieno-thiophene isomers

    Molecular Physics, Vol. 103, Núm. 6-8, pp. 789-801

  2. The ring-current model of the paratropic pentalene molecule

    Chemical Physics Letters, Vol. 401, Núm. 1-3, pp. 282-287

2004

  1. Can aromaticity be connected with molecular polarizability? A theoretical study of benzene isomers and five-membered heterocyclic molecules

    Journal of Computational Methods in Sciences and Engineering, Vol. 4, Núm. 4, pp. 665-676

  2. Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. II. Furo-furan isomers

    Journal of Chemical Physics, Vol. 120, Núm. 14, pp. 6542-6550

2003

  1. Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo-pyrrole isomers

    Journal of Chemical Physics, Vol. 119, Núm. 11, pp. 5518-5526