In this blog I will catalog various examples of how to get started with molecular modeling and how to use it in chemical education.
The title of the blog reflects that of a book I am working on and that will be published by CRC press in 2010.
Posts
g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method
For the Elements H to Lr (Z=1–103)
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Thomas Froitzheim, Marcel Müller, Andreas Hansen, and Stefan Grimme (2025)
Highlighted by Jan Jensen
This highlight is coming to you live from Oslo where ...
1 week ago
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