Molar Fractions, 1.0
It allows calculating molar fractions of chemical compounds with known pKa values (up to 6), in a pH range or at a specific pH values. Runs under Windows and MacOS.
It allows calculating rate constants for electron transfer reactions, using the Marcus theory. Runs under Windows and MacOS.
It allows calculating rate constants of unimolecular or bimolecular reactions, in gas phase and solution, using the conventional Transition State Theory. Runs under Windows and MacOS.
Smile-It, 1.0 JAVA
It allows to generate a list of all the substitutions between a molecule and a list of r-substitutes and to generate a list of SMILES and images of the generated molecules.Runs under Windows, Linux and MacOS.