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Gabriele Raabe

7PUBLICATIONS

8CO-AUTHORS

Multiphysics flows (incl. multiphase and reacting flows)Chemical and thermal processes in energy and combustionComputational chemistryChemical thermodynamics and energeticsTransport properties and non-equilibrium processes

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Publications (7)

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|Feb 23, 2026

Developing Interface Force Fields for Water and Oxygen on Pt, and <i>Pt</i> <sub><i>3</i></sub> <i>Ni</i>, <i>Pt</i> <sub><i>3</i></sub> <i>Co</i> Alloy Surfaces for Proton-Exchange Membrane Fuel Cell (PEMFC) Applications.

Aditya S Kale, Gabriele Raabe

|Feb 11, 2026

Efficient Lignin Dissolution and Enzymatic Depolymerization in Ethylene Glycol-Based Deep Eutectic Solvent Mixtures: Integrated Experimental and Molecular Dynamics Study.

Julian Schilke, Miriam Sprick, Eduardo Schneider

|Jan 08, 2024

Prediction of toluene/water partition coefficients of SAMPL9 compounds: comparison of the molecular dynamics force fields GAFF/RESP and GAFF/IPolQ-Mod + LJ-fit.

Miriam Sprick, Gabriele Raabe

|Jul 25, 2023

Molecular dynamics studies of the solubility behavior of carbon dioxide (CO<sub>2</sub> ), difluoromethane (R-32), 1-chloro-3,3,3-trifluoropropene (R-1233zd(E)) and 2,3,3,3-tetrafluoro-1-propene (R-1234yf) in pentaerythritol tetra(2-ethylhexanoate) (PEB8), pentaerythritol tetrabutyrate (PEC4) and pentaerythritol tetraoctanoate (PEC8).

Jan Bode, Gabriele Raabe

|Nov 07, 2022

Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process.

Thorben Lenk, Sahar Rabet, Miriam Sprick

|Nov 03, 2020

Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces.

Gerardo Valadez Huerta, Gabriele Raabe

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Frequent Collaborators

1 joint publications

Andreas Mecklenfeld

1 joint publications

Gerardo Valadez Huerta

1 joint publications

Thorben Lenk

1 joint publications

Sahar Rabet

1 joint publications

Uwe Schröder

1 joint publications

Alexandre Pradal

1 joint publications

Anett Schallmey

1 joint publications

Aditya S Kale

Frequent Collaborators

1 joint publications

Andreas Mecklenfeld

1 joint publications

Gerardo Valadez Huerta

1 joint publications

Thorben Lenk

1 joint publications

Sahar Rabet

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