Publicacións en colaboración con investigadores/as de Technical University of Denmark (13)

2023

  1. Molecular Bridge Engineering for Tuning Quantum Electronic Transport and Anisotropy in Nanoporous Graphene

    Journal of the American Chemical Society, Vol. 145, Núm. 16, pp. 8988-8995

2021

  1. Unraveling the electronic properties of graphene with substitutional oxygen

    2D Materials, Vol. 8, Núm. 4

2020

  1. Spatio-temporal assessment of illicit drug use at large scale: evidence from 7 years of international wastewater monitoring

    Addiction, Vol. 115, Núm. 1, pp. 109-120

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

  3. Surface enhanced Raman scattering (SERS) in the visible range on scalable aluminum-coated platforms

    Chemical Communications, Vol. 54, Núm. 75, pp. 10638-10641

2017

  1. Measuring biomarkers in wastewater as a new source of epidemiological information: Current state and future perspectives

    Environment International, Vol. 99, pp. 131-150

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