Support Information for Structure-Property-Performance Relationships of Tetra-alkyl Core Substituted Phenazine Photoredox Catalysts in Organocatalyzed Atom Transfer Radical Polymerization
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接:
https://figshare.com/articles/dataset/Support_Information_for_Structure-Property-Performance_Relationships_of_Tetra-alkyl_Core_Substituted_Phenazine_Photoredox_Catalysts_in_Organocatalyzed_Atom_Transfer_Radical_Polymerization/26863465
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资源简介:
These folders contain:
- Conformation search with CREST
- Separated folder for 1, 2, 1a, and 2a molecules:
Log files
Optimization: s0-opt-freq-solv, s1-opt-freq-solv and t1-opt-freq-solvVertical Energies: s0-sp-tddft-solv and s1-sp-tddft-solvChelpg: s0-chelpg, s1-chelpg and t1-chelpgXYZ files
Optimization: s0-opt-freq-solv, s1-opt-freq-solv and t1-opt-freq-solv
创建时间:
2024-08-28



