https://iochem.udg.edu/browse/handle/100/502 Cu_enolate_benchmark Fri, 06 Feb 2026 12:51:44 GMT 2026-02-06T12:51:44Z https://iochem.udg.edu/browse/handle/100/565 Title: TS1_Cl_B3LYP_PCM Authors: Stanczak, Agnieszka Description: TS for O2 trapping (TS1_Cl) in acetonitrile Mon, 04 Mar 2019 22:20:25 GMT https://iochem.udg.edu/browse/handle/100/565 2019-03-04T22:20:25Z https://iochem.udg.edu/browse/handle/100/564 Title: TS2_B3LYP_PCM Authors: Stanczak, Agnieszka Description: SN2 coupled to O-O heterolysis (TS2) in acetonitrile Mon, 04 Mar 2019 22:20:22 GMT https://iochem.udg.edu/browse/handle/100/564 2019-03-04T22:20:22Z https://iochem.udg.edu/browse/handle/100/563 Title: TS2_Cl_B3LYP_PCM Authors: Stanczak, Agnieszka Description: SN2 coupled to O-O heterolysis (TS2_Cl) in acetonitrile Mon, 04 Mar 2019 22:20:17 GMT https://iochem.udg.edu/browse/handle/100/563 2019-03-04T22:20:17Z https://iochem.udg.edu/browse/handle/100/562 Title: TS2_Ph_B3LYP_PCM Authors: Stanczak, Agnieszka Description: TS for O-O heterolysis coupled with Ph ring oxidation to arene oxide (TS2_Ph) in acetonitrile Mon, 04 Mar 2019 22:20:14 GMT https://iochem.udg.edu/browse/handle/100/562 2019-03-04T22:20:14Z