Physical and Theoretical - Musharof Chy
ADF
ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems.
Gamess
An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa ...
Thermodynamic Modeling
About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real...
CHEMKIN Collection Software
Simulates complex chemical kinetics in reacting flow.
WebMO
Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version availabl...
Zeta Potential
Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials.
YAeHMOP
"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization fo...
CRYSTAL Home Page
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density f...
Extensible Computational Chemistry Environment
Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management fram...
GaussSum
Collection of Python scripts which parse the output of Gaussian or GAMESS calculations to extract i...
AOMix
A program for molecular orbital analysis. It calculates the MO compositions of the constituent chem...
Moloc
Molecular Design Software Suite for Irix, Linux, and Windows. Includes features such as structure g...