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Analyzing UV-Vis Spectra - Part 1

Plotting UV-Vis in Excel - Part 2

Plotting UV-Vis in Excel - Part 1

Building Azobenzene

Setting up TD-DFT Calculations

Shows how to use GaussView to fix XYZ coordinates for a group of atoms for a structure optimization in Gaussian.

Shows how to analyze the result of a PES scan along a dihedral angle coordinate and how to set up transition state optimization.

Shows how to set up a potential energy surface scan along an H-C-C-H dihedral angle in ethane.

Shows how to use GaussView to set up a PES scan along N-N bond length and how to visualize and export the results.

Shows how to use GenECP keyword to define pseudopotentials and basis sets in Gaussian input file.

Shows how to use gen keyword in Gaussian 16

Shows how to submit a Gaussian 16 calculation to Henry. You will need a terminal application (i.e., Terminal on Mac OSX, MobaXterm or Putty on Windows) to connect to a remote Linux system.

Shows how to prepare a Gaussian input file for calculation on Henry and how to use WinSCP to transfer it to Henry. You will need GaussView, Putty (or MobaXterm) and WinSCP to do this. Note that you can also access GaussView directly on Henry and prepare the input file there without the need to transfer it. If you choose to use GaussView on Henry, please only use the software to prepare the inpu...

Shows how to use GaussView to analyze the results of a Gaussian calculation. Formaldehyde optimization.

Starting with Gaussian Calculations: Using GaussView to Prepare Input File

Logging to Henry from a Windows Computer

Accessing GaussView on Henry from a Mac Computer

Logging to Henry from a Mac Computer

Accessing GaussView on Henry from a Windows Computer

Connecting to Dabney 120 from a Mac Computer

Connecting to Dabney 120 from a Windows 10 Computer