Nelson Colman

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Questions related from Nelson Colman

Could someone give me their opinion about why this code is not converging?

Hello. I was trying to simulate the hydrated Nickel cation [Ni(H2O)6]2+ and my calculation setup is not working. For that, I used the aug-cc-pVDZ basis sets for H and O; and Lanl2DZ for Ni....

26 March 2024 1,571 4 View

(SO4)2- anion simulation on Gaussian?

I'm trying to simulate the sulfate anion structure in Gaussian, but my double bonds disappeared after the calculations. I had the same problem when I was trying to simulate the acetate anion....

05 March 2024 454 3 View

Is there a way to simulate a hydration complex using Gaussian?

I'm trying to simulate the complex [V(H2O)6]3+ using Guassian, but the calculation does not converge.

25 February 2024 4,991 2 View