Papers Tutorials Search Databases Tools Links VRML Conferences BenchMarks Back to Software list and links This list points to software items useful to the computational chemist. Both commercial and freeware sites are enclosed.
Software is listed by category.
Please help us to keep this page updated. Cutting of 2D slabs and semi-infinite systems from 3D crystals. Tessel version 2. 2D A Numerical Hartree-Fock Program for Diatomic Molecules ACES II , written and maintained in Rod Bartlett's research group. Authors are J. Stanton, J. Gauss, J. Watts, and W. Lauderdale.