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
Fundamental Study of Density Functional Theory Applied to Triplet State
Reactivity: Introduction of the TRIP50 Dataset
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William B. Hughes, Mihai V. Popescu, Robert S. Paton (2025)
Highlighted by Jan Jensen
While this paper presents an interesting and useful benchmark and d...
1 week ago
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