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Thermodynamic Modeling
About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics. (infos)CHEMKIN Collection Software
Simulates complex chemical kinetics in reacting flow. (infos)
ADF
ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems. (infos)
MINEQL
Chemical equilibrium modeling system for low-temperature applications. Useful in aquatic chemistry applications. (infos)
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. (infos)
MOMix and ALP-Vibro
Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecular vibrations). Spectrum Wizard. (infos)
Jaguar
A general purpose ab initio electronic structure package that is capable of computing variety of properties based on various uncorrelated and correlated wavefunctions. (infos)
Spectra
Windows program for the interactive analysis of crystal field spectra of f-block elements. (infos)
WebMO
Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available. (infos)
Zeta Potential
Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials. (infos)