How to use Avogadro and ORCA for molecular orbital diagrams, spectroscopy and more!
27:05
YouTubeDrBenChem
How to use Avogadro and ORCA for molecular orbital diagrams, spectroscopy and more!
I show you an up-to-date guide on using Avogadro and ORCA to simulate an organic molecule. Step-by-step guide on computation chemistry and quantum chemistry, including how to simulate infrared spectra, UV-vis absorption spectra, molecular orbital visualisation, and molecular vibrations. Follow along with your own molecules! You'll need the ...
17.9K viewsSep 19, 2024
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