CHEMSOL

Hydration free energy calculations.

Authors of the code: Jan Florián and Arieh Warshel

Homepage: The project homepage contains the sources as well as the documentation.

https://laetro.usc.edu/software.html

Source: Source code is available in the project homepage.

https://laetro.usc.edu/software.html

Reference: Florián, J., and A. Warshel. "ChemSol, version 2.1." University of Southern California, Los Angeles (1999).

Description & Use:

CHEMSOL enables the calculation of solvation energies by using the Langevin Dipole model of the solvent and ab-initio calculations.

Quick start: check the included manuals

Program status:

The current package contains CHEMSOL binaries of version 2.1 compiled for the particular Android hardware platforms and adapted for running in generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.

License:

The distribution is published for free at Mobile Chemistry Portal and Google Play Store with kind permission of Jan Florián.

For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package.

Contact:

Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška ([email protected]) and Veronika Růžičková ([email protected]), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.

Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm