CompChemProf

Analyzing UV-Vis Spectra - Part 2

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

Setting up Constrained Optimizations in Gaussian: Fixing Atom Positions

Setting up PES Scans in Gaussian: Internal Rotation of Methyl in Ethane, Part 2

Setting up PES scans in Gaussian: Internal Rotation of Methyl in Ethane, Part 1

Setting up PES Scans in Gaussian: N2 PES Scan

Basis Sets: Using GenECP Keyword to Define Pseudopotentials

Basis Sets: Using gen Keyword in Gaussian Calculations

Starting with Gaussian Calculations: Running Gaussian Calculations on a Remote Linux System (Henry)

Starting with Gaussian Calculations: Transferring Input File from a Windows Desktop to Henry

Starting with Gaussian Calculations: Using GaussView to Inspect Log and Checkpoint Files

Starting with Gaussian Calculations: Using GaussView to Prepare Input File

Accessing GaussView on 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