A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules
收藏DataCite Commons2026-02-09 更新2026-05-04 收录
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https://researchdata.ntu.edu.sg/citation?persistentId=doi:10.21979/N9/CRGIRN
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资源简介：
This repository contains all data, computational inputs/outputs, scripts, and supplementary videos supporting the protocol described in the manuscript. The protocol provides a step-by-step computational workflow to characterize Photoinduced Electron Transfer (PET) in fluorescent molecules using density functional theory (DFT) and time-dependent DFT (TD-DFT)
提供机构：
DR-NTU (Data)
创建时间：
2026-02-06
