Publicaciones en colaboración con investigadores/as de Universidade Federal de São Carlos (13)

2023

  1. Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experiments

    Journal of Raman Spectroscopy, Vol. 54, Núm. 12, pp. 1484-1489

2022

  1. A theoretical and experimental investigation of hetero-vs. homo-connectivity in barium silicates

    American Mineralogist, Vol. 107, Núm. 4, pp. 716-728

  2. Efficient Ni and Fe doping process in ZnO with enhanced photocatalytic activity: A theoretical and experimental investigation

    Materials Research Bulletin, Vol. 152

  3. Integrated experimental and theoretical study on the phase transition and photoluminescent properties of ZrO2:xTb3+ (x=1, 2, 4 and 8 mol %)

    Materials Research Bulletin, Vol. 145

  4. Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations

    Journal of Rare Earths, Vol. 40, Núm. 10, pp. 1527-1534

2021

  1. Identifying and explaining vibrational modes of sanbornite (low-BaSi2O5) and Ba5Si8O21: A joint experimental and theoretical study

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 248

2020

  1. Structure, electronic properties, morphology evolution, and photocatalytic activity in PbMoO4and Pb1-2: X Cax Srx MoO4(x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 44, pp. 25876-25891

2019

  1. Computational procedure to an accurate DFT simulation to solid state systems

    Computational Materials Science, Vol. 170

2014

  1. Unraveling interactions in molecular crystals using dispersion corrected density functional theory: The case of the epoxydihydroarsanthrene molecules

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 11, pp. 5010-5019

2011

  1. Supramolecular architectures based on As(lone pair)⋯π(aryl) interactions

    Chemical Communications, Vol. 47, Núm. 27, pp. 7608-7610

2005

  1. Complementary FPLC-ICP-MS and MALDI-TOF for studying vanadium association to human serum proteins

    Journal of Analytical Atomic Spectrometry, Vol. 20, Núm. 3, pp. 210-215

2000

  1. (Dicyclohexyldithiophosphinato-S,S′)-[2-(2-pyridyl-N)phenyl] mercury(II)

    Acta Crystallographica Section C: Crystal Structure Communications, Vol. 56, Núm. 2, pp. 182-183

1996

  1. Imidazole and pyrazole complexes of phenyltin(IV) halides: The crystal structures of dichlorodiphenyl bis(pyrazole)tin(IV) and trichlorophenylbis(pyrazole)tin(IV)

    Journal of Organometallic Chemistry, Vol. 519, Núm. 1-2, pp. 209-216