XYZ files of geometry optimized structures of paracyclophane-based TTM (di)radicals and corresponding TD-DFT
收藏官方服务：
资源简介：
XYZ coordinates and absolute energies of calculated geometry optimized structures of open-shell singlet and triplet configurations of pseudo-para- and pseudo-ortho-[2.2]paracyclophane-bridged TTM-diradicals by DFT methods (UB3LYP-D3/def-TZVP) TDDFT results of open-shell singlet and triplet configurations of pseudo-para- and pseudo-ortho-[2.2]paracyclophane-bridged TTM-diradicals calculated at the UB3LYP-D3/SVPD level of theory
提供机构：
Zenodo创建时间：
2025-06-17
