Publicaciones en colaboración con investigadoras/es de University of Antwerp (34)

2022

  1. Extracting Pure Circular Dichroism from Hierarchically Structured CdS Magic Cluster Films

    ACS Nano, Vol. 16, Núm. 12, pp. 20457-20469

  2. Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 10, pp. 2264-2272

2021

  1. Access to Biorenewable and CO2-Based Polycarbonates from Exovinylene Cyclic Carbonates

    ACS Sustainable Chemistry and Engineering, Vol. 9, Núm. 4, pp. 1714-1728

2019

  1. La1.5Sr0.5NiMn0.5Ru0.5O6 Double Perovskite with Enhanced ORR/OER Bifunctional Catalytic Activity

    ACS Applied Materials and Interfaces, Vol. 11, Núm. 24, pp. 21454-21464

2017

  1. Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

    Physical Review Materials, Vol. 1, Núm. 7

2016

  1. Anisotropic electronic, mechanical, and optical properties of monolayer WTe2

    Journal of Applied Physics, Vol. 119, Núm. 7

  2. Bilayer SnS2: Tunable stacking sequence by charging and loading pressure

    Physical Review B, Vol. 93, Núm. 12

  3. Chemical and ionization potentials: Relation via the Pauli potential and NOF theory

    International Journal of Quantum Chemistry, Vol. 116, Núm. 11, pp. 805-818

  4. Potential energy curves for P2 and P2 + constructed from a strictly N-representable natural orbital functional

    Physics and Chemistry of Liquids, Vol. 54, Núm. 6, pp. 797-801

2015

  1. Can Cooper pairs in benzene lead to Efimov states?

    Molecular Physics, Vol. 113, Núm. 3-4, pp. 294-296

  2. Is the Hartree-Fock prediction that the chemical potential µ of non-relativistic neutral atoms is equal to minus the ionisation potential I sensitive to electron correlation?

    Physics and Chemistry of Liquids, Vol. 53, Núm. 6, pp. 696-705

  3. Low-Lying Isomers of Free-Space Halogen Clusters with Tetrahedral and Octahedral Symmetry in Relation to Stable Molecules Such as SF6

    Journal of Physical Chemistry A, Vol. 119, Núm. 40, pp. 10190-10194

2014

  1. Are there really cooper pairs and persistent currents in aromatic molecules?

    International Journal of Quantum Chemistry, Vol. 114, Núm. 7, pp. 437-440

  2. Weizsäcker inhomogeneity kinetic energy term for the inhomogeneous electron liquid characterising some 30 homonuclear diatomic molecules at equilibrium and insight into Teller’s theorem in Thomas–Fermi statistical theory

    Physics and Chemistry of Liquids, Vol. 52, Núm. 6, pp. 804-814

2013

  1. A proposed family of variationally correlated first-order density matrices for spin-polarized three-electron model atoms

    Journal of Mathematical Chemistry, Vol. 51, Núm. 2, pp. 763-773

  2. Explicit form of Pauli potential for direct derivation of pair density from a two-particle differential equation for the quintet state of four electrons with harmonic interparticle interactions

    Journal of Mathematical Chemistry, Vol. 51, Núm. 5, pp. 1462-1466

  3. Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2

    Physical Review B - Condensed Matter and Materials Physics, Vol. 87, Núm. 12

  4. Recent progress in low-order density matrix theory of inhomogeneous electron liquids by exact solution of two- and four-electron model atoms

    Physics and Chemistry of Liquids, Vol. 51, Núm. 1, pp. 1-9

2012

  1. Four electrons interacting pairwise in the limit of infinitesimal confining potentials: Especially the quintet spin state

    Chemical Physics Letters, Vol. 536, pp. 162-164

2011

  1. Structural and electronic properties of low-dimensional c-nanoassemblies and possible analogues for Si (and Ge)

    Journal of Nanomaterials, Vol. 2011