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
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
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Bernardo de Souza (2025)
Highlighted by Jan Jensen
If you want to predict accurate reaction energies and barrier heights of
typical organic molecules th...
1 week ago
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