Support Information for Structure-Property-Performance Relationships of Tetra-alkyl Core Substituted Phenazine Photoredox Catalysts in Organocatalyzed Atom Transfer Radical Polymerization
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These folders contain:<br>- Conformation search with CREST<br>- Separated folder for <b>1</b>, <b>2</b>, <b>1a</b>, and <b>2a</b> molecules:<b>Log files</b>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-chelpg<b>XYZ files</b>Optimization: s0-opt-freq-solv, s1-opt-freq-solv and t1-opt-freq-solv<br><br><br>
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2025-06-25



