Supporting data set for: On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis (Q6697322)
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Dataset published at Zenodo repository.
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| default for all languages | No label defined |
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| English | Supporting data set for: On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis |
Dataset published at Zenodo repository. |
Statements
The data set generated for the article: On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis. Consists of subfolders for various sets of calculations. The data analysis procedure is shown in detail on this website. If you want to peform the data analysis yourself, follow the instructions on the setup page of the website to download the repository, insert this data set into it, and run the Jupyter book.
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3 March 2023
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