Publications en collaboration avec des chercheurs de Universidad de La Habana (15)

2024

  1. Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

    The Journal of chemical physics, Vol. 160, Núm. 21

  2. Kinetics of heterogeneous polymerization of glycidol with B(C6F5)3 in toluene in the absence and presence of water

    Materials Today Chemistry, Vol. 37

2023

  1. Electronic Descriptors for Supervised Spectroscopic Predictions

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 6, pp. 1818-1826

  2. Inelastic scattering of hydrogen atoms off pristine and hydrogen-covered W(100) surfaces

    European Physical Journal: Special Topics, Vol. 232, Núm. 12, pp. 1985-1993

2022

  1. H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 35, pp. 20813-20819

2021

  1. Random Force in Molecular Dynamics with Electronic Friction

    Journal of Physical Chemistry C, Vol. 125, Núm. 26, pp. 14468-14473

  2. Translational Inelasticity of Hydrogen Atoms Scattering off Hydrogen-Covered W(110) Surfaces

    Journal of Physical Chemistry C, Vol. 125, Núm. 25, pp. 14075-14081

2018

  1. DISEÑO DE NUEVAS MOLÉCULAS HÍBRIDAS UTILIZANDO COMO PLATAFORMA EL [60] FULLERENO

    Anales de la Academia de Ciencias de Cuba, Vol. 8, Núm. 1

2016

  1. Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission

    Molecular Physics, Vol. 114, Núm. 24, pp. 3650-3657

2014

  1. APORTES A LA QUÍMICA DE FULLERENOS QUIRALES

    Anales de la Academia de Ciencias de Cuba, Vol. 4, Núm. 2

  2. Stereodivergent synthesis of chiral fullerenes by [3 + 2] cycloadditions to C60

    Journal of the American Chemical Society, Vol. 136, Núm. 2, pp. 705-712

2011

  1. Hierarchical selectivity in fullerenes: Site-, regio-, diastereo-, and enantiocontrol of the 1,3-dipolar cycloaddition to C70

    Angewandte Chemie - International Edition, Vol. 50, Núm. 27, pp. 6060-6064

2004

  1. Propagation of fatigue cracks in acrylic bone cements containing different radiopaque agents

    Proceedings of the Institution of Mechanical Engineers, Part H: Journal of Engineering in Medicine, Vol. 218, Núm. 3, pp. 167-172

2001

  1. Conformational analysis of 3,3-disubstituted benzoylthioureas using X-ray diffraction and ab initio calculations

    Journal of Molecular Structure, Vol. 598, Núm. 2-3, pp. 261-265

2000

  1. 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?

    Molecules