Welcome to the ATcT website!

Active Thermochemical Tables (ATcT) are a new paradigm of how to develop accurate, reliable, and internally consistent thermochemical values (such as enthalpies of formation, Gibbs energies of formation, bond dissociation energies, reaction enthalpies, etc.) for stable, reactive, and transient chemical species by utilizing to the fullest all available experimental measurements as well as state-of-the art theoretical data. As opposed to traditional sequential thermochemistry (A begets B, which begets C, etc.), ATcT is based on constructing, analyzing, and solving the underlying Thermochemical Network (TN). The ATcT approach propels thermochemistry to a new orbit by rectifying fundamental deficiencies ingrained in the traditional approach to thermochemistry. It also acts as a unique bridge that efficiently interfaces experiments and theory and integrates the best aspects of both. Finally, ATcT introduce to thermochemistry a number of entirely new capabilities that were never available before.
We are absolutely delighted to announce the recent (March 2023) accession of ATcT to the coveted status of
the U.S. Department of Energy Office of Science Public Reusable (DOE SC PuRe) Data Resource (see DOE and ANL press releases).
The latest released version (TN 1.202) continues to include a find functionality, as well as a provenance analysis of the enthalpy of formation of each of the nearly 3400 species (except the elements in their standard states), accessible by clicking on the species name.
The species-specific pages include a number of additional features, such as an interactive 3D depiction of the target species, a list of other highly correlated enthalpies of formation, as well as a list of most influential determinations in the TN that include the target species.
The website now includes an improved interface for calculating on the fly the 0 K and 298.15 K reaction enthalpies, bond dissociation enthalpies, gas-phase acidities, proton affinities, etc., accessible by clicking the 'Reaction Search' at the bottom of the yellow Find Bar.
You can check out the thermochemical values by selecting "Thermochemical Data" from the navigation bar above.