A free molecular modeling program for Windows9x operating systems with 3D-builder, various ab initio calculation modules and simple molecular mechanics.
Thermodynamic Modeling (Popularity: ): About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics. CHEMKIN Collection Software (Popularity: ): Simulates complex chemical kinetics in reacting flow. ADF (Popularity: ): ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems. MOLCAS (Popularity: ): Program for an accurate ab initio treatment of very general electronic structure problems for molecular systems in both ground and excited states. Online manuals, billboard and patches for MOLCAS. MOMix and ALP-Vibro (Popularity: ): Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecular vibrations). Spectrum Wizard. Jaguar (Popularity: ): A general purpose ab initio electronic structure package that is capable of computing variety of properties based on various uncorrelated and correlated wavefunctions. WebMO (Popularity: ): Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available. Zeta Potential (Popularity: ): Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials. Gamess (Popularity: ): An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa State University. Site is not GAMESS-Uk. YAeHMOP (Popularity: ): "Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions. Freely available in source form.