anthracenediones

Name: anthracenediones
Creator: Vargiu, Attilio Vittorio; Zgurskaya, Helen I.; Malloci, Giuliano; Ruggerone, Paolo; Bosin, Andrea; Gervasoni, Silvia
Published: 2022-03-24T00:00:00+08:00

Figshare2022-03-24 更新2026-04-08 收录

计算化学模拟

分子性质预测

数据链接：

https://springernature.figshare.com/articles/dataset/anthracenediones/17212253/1 数据链接链接失效反馈

官方服务：

资源简介：

Archive of anthracenediones containing sub-folders named after each compound and its net charge. Every compound's folder contains a total of 20 files distributed into three sub-directories reporting QM (QM/), FF (FF/), and MD (MD/) data.

提供机构：

Vargiu, Attilio Vittorio; Zgurskaya, Helen I.; Malloci, Giuliano; Ruggerone, Paolo; Bosin, Andrea; Gervasoni, Silvia

创建时间：

2022-03-24