Programs and Other Links
Roald's
Official Website
Poetry, plays, a full listing of scientific papers, and
other good stuff.
YAeHMOP
Freely available extended Hückel software, designed by
former group members Greg Landrum and Wingfield Glassey.
CACAO
Extended Hückel software.
VASP, Quantum Espresso, ADF, CASTEP,
Lots of Density Functional Theory software.
Gaussian
09, GAMESS
General purpose computational chemistry software.
ICSD, CCDC
Crystal structure databases.