https://iochem-bd.matter.toronto.edu/browse/handle/100/61 INVEST-molecules Mon, 04 May 2026 16:26:45 GMT 2026-05-04T16:26:45Z https://iochem-bd.matter.toronto.edu/browse/handle/100/153 Title: /RMS-CASPT2/optimizations pentazine_optS1S2 Authors: Pires-Valverde, Danillo Description: Conical intersection between the S1 and S2 states Wed, 20 Mar 2024 11:24:27 GMT https://iochem-bd.matter.toronto.edu/browse/handle/100/153 2024-03-20T11:24:27Z https://iochem-bd.matter.toronto.edu/browse/handle/100/152 Title: /RMS-CASPT2/optimizations heptazine_optS1S2 Authors: Pires-Valverde, Danillo Description: Conical intersection between the S1 and S2 states Wed, 20 Mar 2024 11:24:24 GMT https://iochem-bd.matter.toronto.edu/browse/handle/100/152 2024-03-20T11:24:24Z https://iochem-bd.matter.toronto.edu/browse/handle/100/151 Title: /SCS-ADC2/optimizations/default_parameters cyclazine_optS0 Authors: Pires-Valverde, Danillo Description: Geometry optimization of the S0 state for cyclazine Wed, 20 Mar 2024 11:24:23 GMT https://iochem-bd.matter.toronto.edu/browse/handle/100/151 2024-03-20T11:24:23Z https://iochem-bd.matter.toronto.edu/browse/handle/100/150 Title: /SCS-ADC2/optimizations/default_parameters cyclazine_optS1 Authors: Pires-Valverde, Danillo Description: Geometry optimization of the S1 state for cyclazine Wed, 20 Mar 2024 11:24:20 GMT https://iochem-bd.matter.toronto.edu/browse/handle/100/150 2024-03-20T11:24:20Z