Tutorial 17 | Gaussian NMR Calculation & Spectra Visualization | Dr M A Hashmi
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Tutorial 17 | Gaussian NMR Calculation & Spectra Visualization | Dr M A Hashmi
In this tutorial, I explain how to run an NMR calculation in Gaussian and then visualize the NMR spectra using GaussView. Key topics covered: Setting up NMR calculations in Gaussian input files Extracting NMR shielding tensors and chemical shifts from the output file Step-by-step demonstration of how to visualize NMR spectra in GaussView ...
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