Introduction | Presentations | Resources
Computational Chemistry
A selection of resources on computational chemistry methods and the theory behind them. This section is rather small at the moment but will hopefully be expanded soon.
Introduction to Computational Chemistry
A series of PDF documents that provide a basic introduction to computational chemistry methods. These are work in progress and may contain errors and typos!
Presentations
This section contains various presentations that EaStCHEM has been involved in presenting or that are useful reading for EaStCHEM users. Most of them are in Microsoft Office PowerPoint format.
A (very) brief introduction to computational chemistry
- A short presentation introducing the ideas behind the most popular methods. Also outlines the strengths and weaknesses of the various computational chemistry approaches.
Resources
A selection of resources that may be useful for people performing computational chemistry calculations.
Energy units conversion table which allows you to convert between units commonly used in computational chemistry programs.