Frank De Proft
0000-0003-4900-7513
6 papers found
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Assessing the Reactivity of the Na3PS4 Solid-State Electrolyte with the Sodium Metal Negative Electrode Using Total Trajectory Analysis with Neural-Network Potential Molecular Dynamics
Assessing the Long-Term Reactivity to Achieve Compatible Electrolyte–Electrode Interfaces for Solid-State Rechargeable Lithium Batteries Using First-Principles Calculations
Cover Feature: Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study (Chem. Eur. J. 56/2020)
Trifluoromethylated Proline Surrogates as Part of “Pro–Pro” Turn‐Inducing Templates
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept
Solvent and Autocatalytic Effects on the Stabilisation of the σ-Complex during Electrophilic Aromatic Chlorination
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