Publicacións en colaboración con investigadores/as de Technical University of Denmark (8)

2018

  1. Ab initio study of the CO-N2 complex: A new highly accurate intermolecular potential energy surface and rovibrational spectrum

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 18, pp. 12624-12634

  2. New Basis Set for the Evaluation of Specific Rotation in Flexible Biological Molecules in Solution

    Journal of Physical Chemistry A, Vol. 122, Núm. 24, pp. 5477-5483

2016

  1. New basis set for the prediction of the specific rotation in flexible biological molecules

    RSC Advances, Vol. 6, Núm. 24, pp. 19897-19902

2015

  1. Theoretical Study of the Pyridine-Helium van der Waals Complexes

    Journal of Physical Chemistry A, Vol. 119, Núm. 44, pp. 10999-11006

2014

  1. Small and efficient basis sets for the evaluation of accurate interaction energies: Aromatic molecule-argon ground-state intermolecular potentials and rovibrational states

    Journal of Physical Chemistry A, Vol. 118, Núm. 44, pp. 10288-10297

2013

  1. He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces

    Journal of Physical Chemistry A, Vol. 117, Núm. 18, pp. 3835-3843

  2. Refined ab initio intermolecular ground-state potential energy surface for the He-C 2H 2 van der Waals complex

    Molecular Physics, Vol. 111, Núm. 9-11, pp. 1173-1177

2012

  1. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    Journal of Chemical Physics, Vol. 137, Núm. 7