free chemist
of the hour:
Reinhard Maurer
Best viewed with
_
An ab initio, DFT and semiempirical SCF-MO package
MOPAC7 is a semi-empirical quantum-mechanics code.
PyQuante is an open-source suite of programs for developing quantum chemistry methods.
Ghemical is computational chemistry package.
B-BOP (a program package for Block Bond-Order Potential method) is a program package for performing O(N) tight-binding (TB) calculations of molecules and bulks, based on block bond-order potential method within semi-empirical TB models.
A Program to Calculate the Steric Size of Molecules about a Point in terms of their Cone Angles and Solid Angles, as well as their total Volumes and Projected Areas.
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP).
webmaster@freechemical.info
50 votes