Physical and Theoretical
Links
Thermodynamic Modeling
About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics.
WebMO
Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available.
WinMopac
http://www.psu.ru/science/soft/winmopac/index_e.html
Free graphical version of MOPAC 7 for windows, with an integrated molecular viewer (RasWin). Used for semiempirical molecular orbital calculations with the MNDO, AM1, and PM3 methods.
YAeHMOP
http://yaehmop.sourceforge.net/
"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.
Zeta Potential
http://zeta-potential.sourceforge.net/
Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials.
Zoa
http://zoa.freeservers.com/index.htm
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.