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My system consists of a hydroxide anion coordinated between two divalent cations (Zn2+ or Co2+) and two negatively charged amino acids.I think that the charge and multiplicity for the Zinc system...
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What is a good method and basis set for a system that contains heavy atoms (Zn2+ or Co2+) and a hydroxide anion? The other atoms in the system are phosphorus, sulfur, chlorine, and a few amino...
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