Links
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 databases
Point groups Point group symmetry
Molecular symmetry
http://www.unc.edu/~shubin/dft.html
Density Functional Theory