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
Computing solvation free energies of small molecules with first principles
accuracy
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J. Harry Moore, Daniel J. Cole, and Gábor Csányi (2025)
Highlighted by Jan Jensen
Local CCSD(T) has made it possible to reach near chemical accuracy for...
1 week ago
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