ATcT [1, 2] enthalpies of formation based on version 1.122r of the Thermochemical Network [3]Below is a list of 0 K and 298.15 K enthalpies of formation for all 2032 species included in version 1.122r.This version of ATcT results was generated from an expansion of version 1.122q [4, 5] to include a non-rigid rotor anharmonic oscillator (NRRAO) partition function for hydroxymethyl [6], as well as data on 42 additional species, some of which are related to soot formation mechanisms. The elements in their standard states are listed first; the listing order of the other species follows the actual order from the ATcT solution file, which roughly reflects the number of thermochemically-relevant determinations that include the species in question (highest first). The intent is to convey a very approximate indication of the robustness of the listed values, which is generally higher toward the top of the list and lower toward the bottom. For species other than elements in their standard states, the Species Name acts as a link to the page itemizing the most important contributors to the provenance of its ATcT enthalpy of formation, other highly correlated chemical species, and high-leverage reactions in the Thermochemical Network. (Please note that, as opposed to traditional sequential thermochemistry where the provenance of a given enthalpy of formation is typically a single measurement, the provenances of ATcT enthalpies of formation, which are obtained by analysing and solving a large Thermochemical Network, are normally quite distributed.) If you find Active Thermochemical Tables useful in your research, please cite this website as given in Ref. [3], and, if possible, the ATcT approach as given in Refs. [1] and [2]. |