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