XYZ files and TDDFT results of geometry optimized structures of donor-acceptor functionalized phenylanthracenes
收藏官方服务：
资源简介：
XYZ coordinates of geometry optimized structures of donor-acceptor functionalized phenylanthracenes by DFT methods (B3LYP-D3/def2-TZVP) TDDFT results calculated at the cam-B3LYP-D3/def2-TZVP level of theory, where the range separation parameter was optimized individually for each compound. All calculations were performed usind ORCA 5.0.3.
提供机构：
Zenodo创建时间：
2025-11-18
