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Questions related from Fatima Lucio
Hello everybody: I am trying to optimize a big structure (348 atoms including: N, S, O, Cl, P, C, H and Pd). I started with a crystal structure and I preoptimized it using: b3lyp/3-21g. Once I...
15 March 2016 4,882 5 View
I am doing calculations with a compound that contains Pt. It is quite big, and I am using DFT to optimize the structure. When it enters in Gaussian it generates a log file with the following...
23 May 2014 6,419 2 View
