Publicaciones en las que colabora con JON MATTIN MATXAIN BERAZA (65)

2023

  1. Few electron systems confined in Gaussian potential wells and connection to Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 5

2020

  1. Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks

    Journal of the American Chemical Society, Vol. 142, Núm. 42, pp. 17989-17996

2019

  1. Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon-Sulfur [n]Helicenes

    ChemPhotoChem, Vol. 3, Núm. 9, pp. 770-777

  2. Reply to "comment on 'chirality-induced electron spin polarization and enantiospecific response in solid-state cross-polarization nuclear magnetic resonance'"

    ACS Nano

2018

  1. Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance

    ACS Nano, Vol. 12, Núm. 11, pp. 11426-11433

2017

  1. Photosensitization mechanism of Cu(II) porphyrins

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 31, pp. 20533-20540

2016

  1. Nanocluster-Assembled Materials

    Computational Modeling of Inorganic Nanomaterials (CRC Press), pp. 113-148

  2. Plasmonic Resonances in the Al13- Cluster: Quantification and Origin of Exciton Collectivity

    Journal of Physical Chemistry C, Vol. 120, Núm. 23, pp. 12742-12750

  3. Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters

    Journal of Chemical Physics, Vol. 144, Núm. 11

2014

  1. CdS nanoclusters doped with divalent atoms

    Journal of Molecular Modeling, Vol. 20, Núm. 6

  2. Doped aluminum cluster anions: Size matters

    Journal of Physical Chemistry A, Vol. 118, Núm. 24, pp. 4309-4314

2013

  1. A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 26, pp. 10996-11005

  2. Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective

    Journal of Chemical Physics, Vol. 138, Núm. 15

  3. Quantum chemical study of the reactions between Pd+/Pt + and H2O/H2S

    Chemistry - A European Journal, Vol. 19, Núm. 27, pp. 8832-8838

  4. Second-row transition-metal doping of (ZniSi), i = 12, 16 nanoclusters: Structural and magnetic properties

    Computation, Vol. 1, Núm. 3, pp. 31-45

  5. The natural orbital functional theory of the bonding in Cr2, Mo2 and W2

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 6, pp. 2055-2062

  6. The one-electron picture in the piris natural orbital functional 5 (PNOF5)

    Theoretical Chemistry Accounts, Vol. 132, Núm. 2, pp. 1-11

2012

  1. A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)] +

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 26, pp. 9306-9310

  2. Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2646-2652

  3. Self-assembling endohedrally doped CdS nanoclusters: New porous solid phases of CdS

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 27, pp. 9676-9682