Title | Journal | Journal Categories | Citations | Publication Date |
---|---|---|---|---|
Microenvironment of the HMOR catalyst leads to high ethylene selectivity from ketene conversion: Insights from ab initio molecular dynamics simulations | Chemical Engineering Journal |
| 1 | 2024 |
Analysis of the effect of amino density and water on amino-containing fixed carrier membranes via computational chemistry | Journal of Membrane Science |
| 2024 | |
Catalytic Activity and Electrochemical Stability of Ru1–xMxO2 (M = Zr, Nb, Ta): Computational and Experimental Study of the Oxygen Evolution Reaction | ACS Applied Materials & Interfaces |
| 2024 | |
Metadynamics for Transition Paths in Irreversible Dynamics | Multiscale Modeling & Simulation |
| 2024 | |
Exploring the Folding Mechanism of Dimeric Superoxide Dismutase | The Journal of Physical Chemistry B |
| 1 | 2023 |