Online Presentations (1-1 of 1)

1. CHEM 870 Tutorial 3: Gaussian, Charge Density and Spin Density

   Online Presentations | 20 Dec 2021 | Contributor(s):: Nicole Adelstein

   There are many goals of this tutorial: To learn to run Gaussian, one of the most ubiquitous computational chemistry software packages in the world. To create text input files and submit simulations from the command line (like an old-school computational researcher), rather than relying on...