Thermodynamic Modeling About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics. http://gbelov.tripod.com

CHEMKIN Collection Software Simulates complex chemical kinetics in reacting flow. http://www.chemkin.com/

ADF ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems. http://www.scm.com

MINEQL Chemical equilibrium modeling system for low-temperature applications. Useful in aquatic chemistry applications. http://www.mineql.com/mineql.html

MOLCAS 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. http://www.teokem.lu.se/molcas/

Zoa Windows program for the analysis of results of quantum chemical calculations. Provides tools to build and view molecules. Especially intended for the field of organic conjugated materials. Demo download available. http://zoa.freeservers.com/index.htm

MOMix and ALP-Vibro Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecular vibrations). Spectrum Wizard. http://www.chem.yorku.ca/grad/SG/momix.htm

Mopac 2000 MOPAC 2000 is a general-purpose semiempirical quantum mechanics package for the study of chemical properties and reactions in gas, solution or solid-state. http://www.schrodinger.com/Products/mopac.html

Jaguar A general purpose ab initio electronic structure package that is capable of computing variety of properties based on various uncorrelated and correlated wavefunctions. http://www.schrodinger.com/Products/jaguar.html

Spectra Windows program for the interactive analysis of crystal field spectra of f-block elements. http://chemistry.anl.gov/downloads/spectra/

WebMO Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available. http://www.webmo.net/

Zeta Potential Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials. http://zeta-potential.sourceforge.net/

Gamess An ab initio quantum chemistry package GAMESS. Developed by the Mark Gordon research group at Iowa State University. Site is not GAMESS-Uk. http://www.msg.ameslab.gov/GAMESS/GAMESS.html

Gamess-Uk Free program derived from the original GAMESS code. http://www.dl.ac.uk/CCP/CCP1/gamess.html

ArgusLab A free molecular modeling program for Windows9x operating systems with 3D-builder, various ab initio calculation modules and simple molecular mechanics. http://www.planaria-software.com/

YAeHMOP "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. http://yaehmop.sourceforge.net/

CONFLEX2000 Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, data sheet, ordering, and trial versions available. http://www.conflex.us/

Chemical Kinetics Simulator Software An easy-to-use, rapid, interactive method for the simulation of chemical reactions. https://www.almaden.ibm.com/st/computational_science/ck/msim/

CRYSTAL Home Page Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation, licensing, and downloads available. http://www.crystal.unito.it/

Extensible Computational Chemistry Environment Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculations. http://ecce.emsl.pnl.gov/