20 December 2016 3 4K Report

Now I'm trying to simulate the UV-Vis spectra using the "VAMP" module in Materials Studio. I found a problem when doing the geometry optimization. For a simple complex, copper hexahydrate ion, due to the Jahn-Teller effect,  the two bonds in axial position should be elongated while the VAMP did not give this supposed structure. Does anybody have such experience in geometry optimization using Materials Studio? Other software is also welcomed.

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