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Physical Chemistry Software

AEA Technology
Software packages and databases designed for applications in thermodynamics, chemical kinetics, phase transitions, and chemical equilibria.

AHSystems Group
Thermodynamics, kinetics, molecular modeling, NMR simulation.

ASAD
Models chemical reactions in atmosphere. From Centre for Atmospheric Science, Cambridge University.

Chemical Kinetics Simulator
Simulates reactions prior to wet chemistry work. From IBM's Almaden Research Center, San Jose.

Engineering Software
Calculates chemical equilibrium and thermodynamic properties of power and propulsion systems.

FACT-Web Programs
Thermochemical calculations from Centre for Research in Computational Thermochemistry, makers of F*A*C*T software.

G&P Engineering Software
Manufacturer of PhysProps, a thermochemical physical properties database of inorganic and organic compounds.

GTT-Technologies
Reaction calculations and thermodynamic teaching software.

Mathtrek Systems
Thermodynamic equilibrium software and tutorials.

MTDATA
Calculations used in materials thermochemistry. From National Physical Laboratory.

OpenMol
Electronic structure and property calculations with graphical interface.

POLYRATE
Used for determining chemical reaction rates of polyatomic species.

Prode
Process simulations, phase diagrams, thermodynamic modeling.

PROPATH
Thermophysical properties of pure fluids and mixtures of fluids. From Kyushu University.

Schrödinger, Inc.
Quantum chemistry and computational chemistry programs available for conformer search and structure-function predictions.

SimChemistry for Windows
Runs simulations of solid, liquid, or gaseous physical systems. From Charlie Wartnaby.

Thermo-Calc
Producers of computational thermodynamics packages.