Theory - 2018 year publications
1. M. Manade, F. Vines, A. Gil and F. Illas
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 3819 (2018)
On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional study
2. D. Munoz-Santiburcio, M. Camellone and D. Marx
Angewandte Chemie-International Edition 57, 3327 (2018)
Solvation-Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase
3. E. Green, E. Artacho and J. Connolly
Earth And Planetary Science Letters 491, 11 (2018)
Bulk properties and near-critical behaviour of SiO2 fluid
4. A. Alonso-Caballero, J. Schonfelder, S. Poly, F. Corsetti, D. De Sancho, E. Artacho and R. Perez-Jimenez
Nature Communications 9, 2758 (2018)
Mechanical architecture and folding of E. coli type 1 pilus domains
Open Access
5. R. Ullah, E. Artacho and A. Correa
Physical Review Letters 121, 116401 (2018)
Core Electrons in the Electronic Stopping of Heavy Ions
Copyright by the American Physical Society. This article may be downloaded for personal use only
6. J. Grossi, S. Shah, E. Artacho and P. Bristowe
PHYSICAL REVIEW MATERIALS 2, 123603 (2018)
Effect of magnetism and temperature on the stability of (Cr-x, V1-x)(2)AlC phases
Copyright by the American Physical Society. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the APS.
7. N. Siemer, A. Luken, M. Zalibera, J. Frenzel, D. Munoz-Santiburcio, A. Savitsky, W. Lubitz, M. Muhler, D. Marx and J. Strunk
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140, 18082 (2018)
Atomic-Scale Explanation of O-2 Activation at the Au-TiO2 Interface