Sumários
Reaction mechanisms
17 novembro 2016, 10:00 • Luís Filipe Coelho Veiros
Transition states optimization.
Frequency calculations III
14 novembro 2016, 12:00 • Luís Filipe Coelho Veiros
Thermodynamic Functions.
Frequency calculations II
10 novembro 2016, 10:00 • Luís Filipe Coelho Veiros
Normal frequency modes of a molecule.
Frequency calculations
7 novembro 2016, 12:00 • Luís Filipe Coelho Veiros
Characterization of stationary points.
Geometry optimization II
3 novembro 2016, 10:00 • Luís Filipe Coelho Veiros
Geometry optimization (cont.).