Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations

Rasmus Kronberg, Kari Laasonen^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Scientific › peer-review

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Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations: Machine-readable geometries (.xyz) of all optimized NEB stationary states
Kronberg, R. (Creator) & Laasonen, K. (Creator), figshare, 17 Jun 2021
DOI: 10.1021/acscatal.1c00538.s002, https://figshare.com/articles/dataset/Reconciling_the_Experimental_and_Computational_Hydrogen_Evolution_Activities_of_Pt_111_through_DFT-Based_Constrained_MD_Simulations/14802920?backTo=/collections/Reconciling_the_Experimental_and_Computational_Hydrogen_Evolution_Activities_of_Pt_111_through_DFT-Based_Constrained_MD_Simulations/5472755
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