Topics Map > SCS Computing > Software
Topics Map > SCS Computing > How-To
Compiled list of links to Software Tutorials.
Tutorial - Quantum Chemistry - Intro to Gaussian I
Tutorial - Quantum Chemistry - Intro to Gaussian Part II
Tutorial - Quantum Chemistry with Gaussian using GaussView
Tutorial - Quantum Chemistry - pKa Estimations using Gaussian
- This is a tutorial designed to introduce users to calculating pKa values of simple molecules utilizing Gaussian 09. Users are expected to have a foundation in Unix/Linux (see Linux primer tutorial)
Tutorial - Quantum Chemistry - Simulating Vibrationally-resolved Electronic Spectra Using Gaussian
- This is a tutorial designed to introduce users to simulating vibrationally-resolved electronic spectra utilizing the Gaussian 09 software package. Specifically, the simulation of vibrationally-resolved UV-Vis absorption spectra is performed on an anisole molecule. Users are expected to have a foundation in Unix/Linux (see Unix Primer, above).
Tutorial - Introduction to Quantum Chemistry with Spartan
Tutorial - Basics of membrane-protein interactions using molecular dynamics with NAMD, VMD, and CHARMM-GUI
Introduction to molecular mechanics with MOE: Why does GFP need a beta-barrel shell?