Sumários

UV/Vis spectra

19 dezembro 2019, 10:00 Luís Filipe Coelho Veiros

Excited states energy calculations - TD-DFT.


Reaction mechanisms III

16 dezembro 2019, 12:00 Luís Filipe Coelho Veiros

Characterization of transition states.


Transition states

12 dezembro 2019, 10:00 Luís Filipe Coelho Veiros

Transition state optimization and characterization.


Reaction mechanisms III

9 dezembro 2019, 12:00 Luís Filipe Coelho Veiros

Potential Energy Surface Scans - Searching for transition states (cont.).


Reaction mechanisms II

5 dezembro 2019, 10:00 Luís Filipe Coelho Veiros

Potential Energy Surface Scans - Searching for transition states (cont.).