G-SchNet for THz Radiation Detection
收藏DataCite Commons2025-05-01 更新2025-09-08 收录
下载链接：
https://figshare.com/articles/dataset/G-SchNet_for_THz_Radiation_Detection/28539995/1
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资源简介：
Data associated with 'Generative design of functional organic molecules for terahertz radiation detection'. Included are:Molecular databases in ASE database (.db) formatDensity functional theory-optimised best candidate molecules in .xyz formatASE databases for xTB calculations
提供机构：
figshare
创建时间：
2025-03-10
