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Questions related from Courtney Cooper
Hello! I have a few questions about a TDDFT calculation that I ran ( # td b3lyp/6-31g(d,p) scrf=(iefpcm,solvent=chloroform) guess=mix) and when I calculation the % probability of some of the...
01 February 2023 4,076 4 View
Hello! I know the equations for the direct and indirect relationship. Still, I have a question about whether or not there are specific rules for when you use the direct or indirect relationship...
30 November 2022 6,639 2 View
Hello! I have a question about when you can use a Tauc plot to help estimate the experimental band gap (Eg) - I know initially it was used for semiconductors. Can you still estimate it based on...
21 November 2022 3,926 2 View
