Publicacións en colaboración con investigadores/as de University of Antwerp (24)

2019

  1. Highly porous palladium nanodendrites: Wet-chemical synthesis, electron tomography and catalytic activity

    Dalton Transactions, Vol. 48, Núm. 11, pp. 3758-3767

2017

  1. Shape control in ZIF-8 nanocrystals and metal nanoparticles@ZIF-8 heterostructures

    Nanoscale, Vol. 9, Núm. 43, pp. 16645-16651

2016

  1. Encapsulation of Single Plasmonic Nanoparticles within ZIF-8 and SERS Analysis of the MOF Flexibility

    Small, pp. 3935-3943

  2. Nanocomposites: Encapsulation of Single Plasmonic Nanoparticles within ZIF-8 and SERS Analysis of the MOF Flexibility (Small 29/2016)

    Small

2015

  1. Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability

    Journal of Computational Chemistry, Vol. 36, Núm. 24, pp. 1831-1841

  2. Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: The pyridine case

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 575-587

2013

  1. Electric response properties of neutral and charged Al13X (X=Li, Na, K) magic clusters. A comprehensive ab initio and density functional comparative study

    Computational and Theoretical Chemistry, Vol. 1021, pp. 114-123

2007

  1. Bonding study in all-metal clusters containing Al4 units

    Journal of Physical Chemistry A, Vol. 111, Núm. 46, pp. 11885-11893

  2. Insight into the intermolecular factors responsible for the Z,Z configuration of Ar-X-N=S=N-X-Ar (X = S, Se) derivatives in the solid state

    European Journal of Inorganic Chemistry, pp. 1958-1965

2006

  1. A scheme estimating the energy of intramolecular hydrogen bonds in diols

    Tetrahedron, Vol. 62, Núm. 17, pp. 4243-4252

  2. Hartree-fock energy partitioning in terms of hirshfeld atoms

    ChemPhysChem, Vol. 7, Núm. 6, pp. 1294-1305

  3. On the applicability of QTAIM, Hirshfeld and Mulliken delocalisation indices as a measure of proton spin-spin coupling in aromatic compounds

    Chemical Physics Letters, Vol. 430, Núm. 4-6, pp. 454-458

2005

  1. Charge density analysis of some processes involving intramolecular hydrogen transfer

    Tetrahedron, Vol. 61, Núm. 4, pp. 819-829

  2. Does a stabilising interaction favouring the Z,Z configuration of -S-N=S=N-S- systems exist?

    Chemistry - A European Journal, Vol. 11, Núm. 15, pp. 4544-4551

  3. Electron charge redistribution upon hydride addition to carbonylic compounds

    Chemical Physics Letters, Vol. 405, Núm. 1-3, pp. 10-17

  4. Joint QTAIM and Hirshfeld study of the σ and π charge distribution and electron delocalization in carbonyl compounds: A comparative study with the resonance model

    Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8624-8631

  5. Topological study of intramolecular hydrogen bonding in β-hydroxyethylperoxy radical and β-hydroxyethoxy radical along its dissociation pathway

    Physical Chemistry Chemical Physics, Vol. 7, Núm. 18, pp. 3290-3296

2004

  1. Comparison of the AIM and hirshfeld totals, σ, and π Charge distributions: A study of protonation and hydride addition processes

    Journal of Physical Chemistry A, Vol. 108, Núm. 34, pp. 7050-7055

2002

  1. Theoretical study of pyrrolidine: Revised conformational energies and vibrational assignments

    Journal of Physical Chemistry A, Vol. 106, Núm. 15, pp. 3873-3884

1990

  1. An ab initio gradient study of ethylhydrazine

    Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66