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.
Corrected small basis set Hartree-Fock method for large systems
-
Rebecca Sure and Stefan Grimme *Journal of Computational Chemistry*, early
view
Contributed by +Jan Jensen
Steven Bachrach recently highlighted Kruse an...
5 hours ago

