Data for "A computational protocol combining DFT and cheminformatics for prediction of pH-dependent redox potentials"
收藏Figshare2021-06-29 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Data_for_A_computational_protocol_combining_DFT_and_cheminformatics_for_prediction_of_pH-dependent_redox_potentials_/14866749/1
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资源简介：
Data published in the open access article "A computational protocol combining DFT and cheminformatics for prediction of pH-dependent redox potentials".<br>Each file is named after the name of a figure in the article and contains the final calculation results used to generate the figure.All methodologies are described in the article.
提供机构：
Fornari, Rocco Peter; de Silva, Piotr
创建时间：
2021-06-29
