Links
| Useful | Fundamental
physical constants Computational chemistry list TIPTOP - Job list for physicists |
| Computational Spectroscopy | Vicenzo
Barone Carlo Adamo Denis Jacqmin |
| Molecular electronics | NanoHub J.C. Cuevas R.M. Metzger N.J. Tao M.A. Reed J. Seminario M.A. Reed J.L. Bredas Trinity College Dublin |
| Molecular databases | Fluorophores.org Molecular spectral databases Chemistry Library Cambridge Structural Database Spectral Databases for Organic Compounds NIST Chemistry WebBook Computational Chemistry Comparison and Benchmark DataBase ChemLib from Wendy Warr Pharmacokinetic Database |
| Molecular symmetry | Point
groups Point group symmetry |
| Density Functional Theory |
www.physics.ohio-state.edu/~aulbur/dft.html http://www.unc.edu/~shubin/dft.html http://dft.sandia.gov/ |
| Experimental techniques |
Scanning
probe microscopy NMR IR Raman UV-Vis EPR (particularly free radicals) |