Browse Collection: INVEST-molecules INVEST-molecules https://iochem-bd.matter.toronto.edu/browse/handle/100/61 2026-05-04T16:26:45Z 2026-05-04T16:26:45Z /RMS-CASPT2/optimizations pentazine_optS1S2 Pires-Valverde, Danillo https://iochem-bd.matter.toronto.edu/browse/handle/100/153 2024-03-20T15:24:29Z 2024-03-20T11:24:27Z Title: /RMS-CASPT2/optimizations pentazine_optS1S2 Authors: Pires-Valverde, Danillo Description: Conical intersection between the S1 and S2 states 2024-03-20T11:24:27Z /RMS-CASPT2/optimizations heptazine_optS1S2 Pires-Valverde, Danillo https://iochem-bd.matter.toronto.edu/browse/handle/100/152 2024-03-20T15:24:26Z 2024-03-20T11:24:24Z Title: /RMS-CASPT2/optimizations heptazine_optS1S2 Authors: Pires-Valverde, Danillo Description: Conical intersection between the S1 and S2 states 2024-03-20T11:24:24Z /SCS-ADC2/optimizations/default_parameters cyclazine_optS0 Pires-Valverde, Danillo https://iochem-bd.matter.toronto.edu/browse/handle/100/151 2024-03-20T15:24:24Z 2024-03-20T11:24:23Z Title: /SCS-ADC2/optimizations/default_parameters cyclazine_optS0 Authors: Pires-Valverde, Danillo Description: Geometry optimization of the S0 state for cyclazine 2024-03-20T11:24:23Z /SCS-ADC2/optimizations/default_parameters cyclazine_optS1 Pires-Valverde, Danillo https://iochem-bd.matter.toronto.edu/browse/handle/100/150 2024-03-20T15:24:21Z 2024-03-20T11:24:20Z Title: /SCS-ADC2/optimizations/default_parameters cyclazine_optS1 Authors: Pires-Valverde, Danillo Description: Geometry optimization of the S1 state for cyclazine 2024-03-20T11:24:20Z