In this topic, we are interested in applying and re-formulating theoretical methods to determine the thermochemical properties of a compound. This requires the use of specialized software such as Gaussian, NWChem, Orca, etc.
Also, we dedicate some effort to upgrading the methods for computing thermochemical properties, in order to improve the theoretical predictions. For this, we constantly develop our own models, tools, and software in different programming languages, such as C++, Fortran, Bash, and Python.