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Physical Chemistry Chemical Physics : PCCP|June 2, 2020
The transformation of cuboctahedral to icosahedral nanoparticles: atomic structure and dynamicsPhilipp N Plessow
Journal of Chemical Theory and Computation|August 26, 2025
Anharmonic Adsorption Free Energies and Apparent Activation Barriers for Mobile Reactants Based on Molecular Dynamics SimulationsPhilipp N Plessow
Journal of Chemical Theory and Computation|January 27, 2018
Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface ScansPhilipp N Plessow
The Journal of Physical Chemistry Letters|May 16, 2020
How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?Philipp N Plessow, Felix Studt
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 30, 2025
Accurate and Efficient Description of Acidic Zeolites with Plane-Wave Density Functional Theory Using Range-Separated Hybrid FunctionalsPhilipp Huber, Philipp N Plessow
ACS Physical Chemistry Au|March 1, 2023
Toward Computing Accurate Free Energies in Heterogeneous Catalysis: a Case Study for Adsorbed Isobutene in H-ZSM-5Kristof De Wispelaere, Philipp N Plessow, Felix Studt
ACS Omega|August 26, 2024
Stability of Hydroxylated α-Fe2O3(0001) SurfacesJiachen Chen, Dmitry I Sharapa, Philipp N Plessow
Journal of Chemical Theory and Computation|April 12, 2023
Anharmonic Correction to Free Energy Barriers from DFT-Based Molecular Dynamics Using Constrained Thermodynamic IntegrationJonas Amsler, Philipp N Plessow, Felix Studt, et al.
Journal of the American Chemical Society|March 29, 2019
Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based KineticsPhilipp N Plessow, Ashley Smith, Steffen Tischer, et al.
Journal of Chemical Theory and Computation|January 22, 2021
Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic IntegrationJonas Amsler, Philipp N Plessow, Felix Studt, et al.
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