Chemistry in nanoconfined water D Muñoz-Santiburcio, D Marx Chemical Science 8 (5), 3444-3452, 2017 | 121 | 2017 |
Confinement-controlled aqueous chemistry within nanometric slit pores: Focus review D Munoz-Santiburcio, D Marx Chemical Reviews 121 (11), 6293-6320, 2021 | 90 | 2021 |
Nanoconfinement in slit pores enhances water self-dissociation D Munoz-Santiburcio, D Marx Physical review letters 119 (5), 056002, 2017 | 90 | 2017 |
Nanoconfinement effects on hydrated excess protons in layered materials D Muñoz-Santiburcio, C Wittekindt, D Marx Nature Communications 4, 2349, 2013 | 71 | 2013 |
Atomic-Scale Explanation of O2 Activation at the Au–TiO2 Interface N Siemer, A Lüken, M Zalibera, J Frenzel, D Muñoz-Santiburcio, ... Journal of the American Chemical Society 140 (51), 18082-18092, 2018 | 70 | 2018 |
Nanoconfined water within graphene slit pores adopts distinct confinement-dependent regimes S Ruiz-Barragan, D Munoz-Santiburcio, D Marx The journal of physical chemistry letters 10 (3), 329-334, 2019 | 58 | 2019 |
On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores D Muñoz-Santiburcio, D Marx Nature Communications 7, 12625, 2016 | 45 | 2016 |
Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores S Ruiz-Barragan, D Muñoz-Santiburcio, S Körning, D Marx Physical Chemistry Chemical Physics 22 (19), 10833-10837, 2020 | 35 | 2020 |
Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase D Muñoz‐Santiburcio, M Farnesi Camellone, D Marx Angewandte Chemie 130 (13), 3385-3389, 2018 | 32 | 2018 |
Crystal structure and hydroxyl group vibrational frequencies of phyllosilicates by DFT methods J Ortega-Castro, N Hernández-Haro, D Muñoz-Santiburcio, ... Journal of Molecular Structure: THEOCHEM 912 (1-3), 82-87, 2009 | 28 | 2009 |
Ab initio molecular dynamics study of the dehydroxylation reaction in a smectite model D Muñoz-Santiburcio, M Kosa, A Hernández-Laguna, CI Sainz-Díaz, ... The Journal of Physical Chemistry C 116 (22), 12203-12211, 2012 | 18 | 2012 |
Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water B Gu, B Cunningham, D Muñoz Santiburcio, F Da Pieve, E Artacho, ... The Journal of Chemical Physics 153 (3), 2020 | 17 | 2020 |
Computational study of the elastic behavior of the 2M1 muscovite-paragonite series N Hernández-Haro, J Ortega-Castro, C Perez Del Valle, ... American Mineralogist 98 (4), 651-664, 2013 | 15 | 2013 |
AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids D Muñoz-Santiburcio, A Hernández-Laguna, JI Soto Computer Physics Communications 192, 272-277, 2015 | 14 | 2015 |
Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models D Muñoz-Santiburcio, J Ortega-Castro, CI Sainz-Díaz, FJ Huertas, ... Journal of Molecular Structure: THEOCHEM 912 (1-3), 95-104, 2009 | 12 | 2009 |
Solvation-enhanced oxygen activation at gold/titania nanocatalysts N Siemer, D Munoz-Santiburcio, D Marx ACS Catalysis 10 (15), 8530-8534, 2020 | 11 | 2020 |
AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids D Muñoz-Santiburcio, A Hernández-Laguna Computer Physics Communications 217, 212-214, 2017 | 11 | 2017 |
Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor B Gu, D Muñoz-Santiburcio, F Da Pieve, F Cleri, E Artacho, J Kohanoff Radiation Physics and Chemistry 193, 109961, 2022 | 6 | 2022 |
Accurate diffusion coefficients of the excess proton and hydroxide in water via extensive ab initio simulations with different schemes D Muñoz-Santiburcio Journal of Chemical Physics 157 (2), 024504, 2022 | 6 | 2022 |
Tools for investigating electronic excitation: experiment and multi-scale modelling T Apostolova, E Artacho, F Cleri, M Cotelo, ML Crespillo, F Da Pieve, ... Instituto de Fusión Nuclear" Guillermo Velarde", Universidad Politécnica de …, 2021 | 6 | 2021 |