D. Muñoz-Santiburcio

发表

Compressibility of 2M1 muscovite-phlogopite series minerals

C. I. Sainz-Díaz, A. Hernández-Laguna, J. Ortega-Castro, 2019, Journal of Molecular Modeling.

Chemistry in nanoconfined water† †Electronic supplementary information (ESI) available: Details on the theory and methods, computational setup, and exhaustive description of the results. See DOI: 10.1039/c6sc04989c Click here for additional data file.

D. Marx, D. Muñoz-Santiburcio, 2017, Chemical science.

On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores

D. Marx, D. Muñoz-Santiburcio, 2016, Nature Communications.

Accurate diffusion coefficients of the excess proton and hydroxide in water via extensive ab initio simulations with different schemes.

D. Muñoz-Santiburcio, 2022, The Journal of chemical physics.

Solvation-Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase.

D. Marx, Matteo Farnesi Camellone, D. Muñoz-Santiburcio, 2018, Angewandte Chemie.

Solvation-Enhanced Oxygen Activation at Gold/Titania Nanocatalysts

D. Marx, D. Muñoz-Santiburcio, Niklas Siemer, 2020 .

Chemistry in nanoconfined water

D. Marx, D. Muñoz-Santiburcio, 2017 .

Prebiotic Chemistry in Nanoconﬁnement

K. Binder, D. Marx, D. Muñoz-Santiburcio, 2016 .

Nanoconfined Water within Graphene Slit Pores Adopts Distinct Confinement-Dependent Regimes.

D. Marx, D. Muñoz-Santiburcio, Sergi Ruiz-Barragan, 2019, The journal of physical chemistry letters.

Influence of the exchangeable cation on the adsorption of 2-nitro-1-propanol on smectite surface models

A. Hernández-Laguna, J. Ortega-Castro, F. Huertas, 2011 .

Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models

C. I. Sainz-Díaz, A. Hernández-Laguna, J. Ortega-Castro, 2009 .

Melatonin/Nanoclay Hybrids for Skin Delivery

C. I. Sainz-Díaz, A. Hernández-Laguna, C. Viseras, 2021, Applied Clay Science.

Simulating the Dehydroxylation Reaction in Smectite Models by Car–Parrinello-like–Born–Oppenheimer Molecular Dynamics and Metadynamics

C. I. Sainz-Díaz, A. Hernández-Laguna, D. Muñoz-Santiburcio, 2016 .

Compressibility of 2M1 muscovite-paragonite series minerals: A computational study to 6 GPa

C. I. Sainz-Díaz, A. Hernández-Laguna, J. Ortega-Castro, 2016 .

Computational study of the elastic behavior of the 2M1 muscovite-paragonite series

C. I. Sainz-Díaz, A. Hernández-Laguna, J. Ortega-Castro, 2013 .

Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores.

D. Marx, D. Muñoz-Santiburcio, 2021, Chemical reviews.

Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

E. Artacho, F. Cleri, J. Kohanoff, 2021, Radiation Physics and Chemistry.

Electronic Supplementary Information for Chemistry in Nanoconfined Water

D. Marx, D. Muñoz-Santiburcio, 2017 .

Atomic-Scale Explanation of O2 Activation at the Au-TiO2 Interface.

D. Marx, W. Lubitz, M. Muhler, 2018, Journal of the American Chemical Society.

Nonlinear electronic stopping of negatively charged particles in liquid water

E. Artacho, J. Kohanoff, D. Muñoz-Santiburcio, 2023, Physical Review Research.

Crystal structure and hydroxyl group vibrational frequencies of phyllosilicates by DFT methods

C. I. Sainz-Díaz, A. Hernández-Laguna, J. Ortega-Castro, 2009 .

Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores.

D. Marx, D. Muñoz-Santiburcio, Sergi Ruiz-Barragan, 2020, Physical chemistry chemical physics : PCCP.

Nanoconfinement effects on hydrated excess protons in layered materials

D. Marx, D. Muñoz-Santiburcio, C. Wittekindt, 2013, Nature Communications.

AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

Alfonso Hernández-Laguna, Daniel Muñoz-Santiburcio, Juan I. Soto, 2015, Comput. Phys. Commun..

Nanoconfinement in Slit Pores Enhances Water Self-Dissociation.

D. Marx, D. Muñoz-Santiburcio, 2017, Physical review letters.

Tools for investigating electronic excitation: experiment and multi-scale modelling

Jos L. Teunissen, J. Siegel, M. Ynsa, 2021 .

Electronic-mediated nuclear stopping power in proton irradiated water ice

E. Artacho, J. Kohanoff, D. Muñoz-Santiburcio, 2023, 2303.12975.

Ab Initio Molecular Dynamics Study of the Dehydroxylation Reaction in a Smectite Model

M. Parrinello, C. I. Sainz-Díaz, A. Hernández-Laguna, 2012 .

Computational study of pressure behaviour to 6 GPa of the 2 M 1 muscovite-3 paragonite series 4 5

C., I.., N. Hernández-Haro, 2015 .

D. Marx, D. Muñoz-Santiburcio, 2017, Chemical science.