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All papers authored by Frank De Proft

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2023 Lieven Bekaert

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, Suzuno Akatsuka, Naoto Tanibata, Frank De Proft

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, Mesfin Haile Mamme, Masanobu Nakayama

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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

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2022 Lieven Bekaert

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, Ashish Raj, Jean-François Gohy

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, Frank De Proft

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, Mesfin H. Mamme

Assessing the Long-Term Reactivity to Achieve Compatible Electrolyte–Electrode Interfaces for Solid-State Rechargeable Lithium Batteries Using First-Principles Calculations

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2020 Tom Bettens

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, Frank De Proft

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, Gernot Frenking

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, Paul Geerlings

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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)

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This paper was not found in any repository, but could be made available legally by the author.

This paper was not found in any repository, but could be made available legally by the author.

Robert Balawender

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, Michael Lesiuk

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, Frank De Proft

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, Christian Van Alsenoy

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, Paul Geerlings

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Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept

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2018 Ruben Van Lommel

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, Samuel L. C. Moors, Frank De Proft

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Solvent and Autocatalytic Effects on the Stabilisation of the σ-Complex during Electrophilic Aromatic Chlorination

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