DFT Calculations for PeT Predictions
收藏Figshare2024-12-11 更新2026-04-28 收录
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https://figshare.com/articles/dataset/DFT_Calculations_for_PeT_Predictions/27996854
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资源简介：
Library of DFTs performed for Cyanine dyes and potential triplet state quenchers to calculated the activation energy using Marcus theory of electron transfer and predict their corresponding rate constant.
创建时间：
2024-12-11
