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Questions related from Jhon Elmer Bustamante
I have been working with a system that has a transition metal (TM) and imidazole ligand. When ORCA comes to solve the CP-SCF equation, it performs the solution until a certain interaction but...
05 March 2021 6,140 4 View
I have seen examples with singlet systems but I do not know if ORCA is able to do it with quintet complexes, or if I need to set some extra keyword.
05 October 2020 2,773 2 View
