Publications dans lesquelles il/elle collabore avec HEGOI MANZANO MORO (27)

2018

  1. Benchmark of ReaxFF force field for subcritical and supercritical water

    Journal of Chemical Physics, Vol. 148, Núm. 23

  2. Cs-137 immobilization in C-S-H gel nanopores

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 14, pp. 9289-9297

  3. Singlet Fission Mediated Photophysics of BODIPY Dimers

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 3, pp. 641-646

  4. Water adsorption on the β-dicalcium silicate surface from DFT simulations

    Minerals, Vol. 8, Núm. 9

2016

  1. Strategies for modulating the luminescence properties of pyronin y dye-clay films: An experimental and theoretical study

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 12, pp. 8730-8738

  2. Unprecedented J-Aggregated Dyes in Pure Organic Solvents

    Advanced Functional Materials, Vol. 26, Núm. 16, pp. 2756-2769

2015

  1. Hydration Mechanism of Reactive and Passive Dicalcium Silicate Polymorphs from Molecular Simulations

    Journal of Physical Chemistry C, Vol. 119, Núm. 34, pp. 19869-19875

  2. Insight on tricalcium silicate hydration and dissolution mechanism from molecular simulations

    ACS Applied Materials and Interfaces, Vol. 7, Núm. 27, pp. 14726-14733

  3. The Role of Water on C-S-H Gel Shear Strength Studied by Molecular Dynamics Simulations

    CONCREEP 2015: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures - Proceedings of the 10th International Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures