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Questions related from Meriem Nassar
DFT calculations are performed for oxo-cluster of transition metal which contain heavy atoms, I would like to know which one I have to take on consideration the spin orbit coupling or relativistic...
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opt freq gaussian calculation is performed, I got normal termination , however, the structure has nottotaly converged. because I had no convergence in Maximum Displacement! how can I solve this...
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which one of them is good for metal oxide complexes?
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