Uppsala University, Department of Chemistry – Ångström Laboratory
Today's date: Tuesday Apr 20 2021
Teoroo – Theoretical inorganic chemistry group
Ymol program updated
on Ymol program updated
The ymol program has been updated to version 0.8.144.
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An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO-Water System
Ceria chemistry at the nanoscale: effect of the environment
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Open student/diploma projects
Annual eSSENCE multiscale modelling meeting went digital in 2020
The 2019 eSSENCE meeting on “Multiscale modelling of materials and molecules”
Inter-division beach volley tournament - first place award
Ageo Meier de Andrade - 2nd prize for poster at CCP5
Seminar: "Mineral/water interfaces characterized by Ab Initio Molecular Dynamics: making the link between structure and SFG vibrational spectroscopy"
Thermodynamics of dissociated water motifs at oxide-bulk water interfaces: The TiO2 anatase (0 0 1) case
Supercooled liquid-like dynamics in water near a fully hydrated titania surface: Decoupling of rotational and translational diffusion
Curvature Constrained Splines for DFTB Repulsive Potential Parametrization
Phonon-Assisted Hot Carrier Generation in Plasmonic Semiconductor Systems
Lignin Intermediates on Palladium: Insights into Keto‐Enol Tautomerization from Theoretical Modelling
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