Active Thermochemical Tables (ATcT) thermochemistry for the sequential bond
dissociations of methane, ethane, and methanol systems were obtained by analyzing and …

The fidelity of combustion simulations is strongly dependent on the accuracy of the
underlying thermochemical properties for the core combustion species that arise as …

The accepted convention for expressing uncertainties of thermochemical quantities,
followed by virtually all thermochemical tabulations, is to provide earnest estimates of 95 …

The 298.15 K formation enthalpies of 38 radicals with molecular formula C x H y O z have
been computed via the atomization procedure using the five title methods. The computed …

The history and evolution of molecular threshold photoelectron spectroscopy and threshold
photoelectron photoion coincidence spectroscopy (TPEPICO) over the last fifty years are …

Coordination-driven self-assembly enables the spontaneous construction of metallo-
supramolecules with high precision, facilitated by dynamic and reversible metal–ligand …

London dispersion constitutes one of the fundamental interaction forces between atoms and
between molecules. While modern computational methods have been developed to …

Abstract The current Active Thermochemical Tables (ATcT) results for the bond dissociation
energies of the homonuclear diatomics H 2, C 2, N 2, O 2, and F 2 are reported and …

Ammonia as a renewable fuel has potential to replace hydrocarbons in internal combustion
engines, as carbon emissions are absent from the exhaust products. Before it can be …

For a chemist who is concerned with the synthesis of new energetic compounds, it is
essential to be able to assess physical and thermodynamic properties, as well as the …