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Questions related from Diana Carolina Navarro-Ibarra
In Guassian, which convergence algorithm is best for working with transition metal interaction? It is taking a long time to even get the first block of coordinates, in the output file it said to...
29 January 2024 4,234 1 View
I used to plot the MEP in Jmol from the output of an optimization/Frequencies from gaussian09 field, but if the output is from gaussian16 I get the following error: "No partial charges were read...
14 May 2023 8,568 0 View
Dear all. Someone has ever made a calculation of Born Oppenheimer molecular dynamics under the effect of an electric field along a direction.
10 June 2021 8,176 5 View
