Description
Introduction to Gaussian 16 & GaussView 06: (01 day)
- Lecture : PES, Geometry Optimizations, Gaussian job files, Vibrational Spectroscopy & Thermochemistry
- Hands-on Session: Building Molecules, Running Electronic Structure Calculations,Visualizing Spectra & Surfaces
Introduction to Gaussian 16 & GaussView 06: (02 days)
- Lecture : PES, Geometry Optimizations, Gaussian job files, Vibrational Spectroscopy, Thermochemistry.
- Methods in Gaussian ( DFT, MM, Semi-Empirical ), Solvation Methods, Model Chemistry & Gaussian Output.
- Hands-on Session: Building Molecules, Running Electronic Structure Calculations.
- Visualizing Spectra & Surfaces, Investigating Chemical Reactions & Visualizing Orbitals.