遇见数据集

Gaussian_inputs_archives_XYZ.zip

收藏
Figshare2020-02-26 更新2026-04-08 收录
官方服务:

资源简介:

Part of Supporting Information for "A Spherically Shielded Triphenylamine and Its Persistent Radical Cation" published in Chemistry - A European Journal (https://doi.org/10.1002/chem.202000355). Output archives of geometry optimizations of all species in S0 and S1 states with the Gaussian 09 program package provided together with the respective input files and XYZ coordinates of optimized species.

创建时间:
2020-01-23
二维码
社区交流群
二维码
科研交流群
商业服务