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Questions related from Johan Mendoza
Hello, I have a question related with Gaussian optimizations. I´m trying to find a global minimum using DFT (B3LYP), but the output file always give me a different structure, depending of the...
01 January 2015 9,643 15 View
I was calculating the UV-Vis spectra of a particular compound, the value of lamda max was 514 and the electronic transitions that are favorable for this wavelength are HOMO-LUMO (92%), then the...
01 January 2015 595 5 View