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CHEMKIN Collection Software - Simulates complex chemical kinetics in reacting flow.
Chemical Kinetics Simulator Software - An easy-to-use, rapid, interactive method for the simulation of chemical reactions.
Jaguar - A general purpose ab initio electronic structure package that is capable of computing variety of properties based on various uncorrelated and correlated wavefunctions.
MINEQL - Chemical equilibrium modeling system for low-temperature applications. Useful in aquatic chemistry applications.
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.
MOMix and ALP-Vibro - Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecular vibrations). Spectrum Wizard.
Thermodynamic Modeling - About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics.
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.
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