We present an update and revision to our 2010 review on the topic of proton-coupled
electron transfer (PCET) reagent thermochemistry. Over the past decade, the data and …

Many, if not most, redox reactions are coupled to proton transfers. This includes most
common sources of chemical potential energy, from the bioenergetic processes that power …

Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

In this Account we have compiled a list of reliable bond energies that are based on a set of
critically evaluated experiments. A brief description of the three most important experimental …

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

Unrestricted coupled cluster spin contamination corrected [UCCSD (T)] and unrestricted
Brueckner doubles [UBD (T)] variations of the Weizmann-1 theory (W1), denoted as W1U …

A restricted-open-shell model chemistry based on the complete basis set-quadratic Becke3
(CBS-QB3) model is formulated and denoted ROCBS-QB3. As the name implies, this …

Over the past 20 years, ion beam methods have become a reliable experimental tool for the
determination of thermochemical data. Confidence in these methods has required the …

Ion thermochemistry is of great practical importance to mass spectrometry. Ion source
intensities and fragmentation patterns in mass spectra are intimately related to ion …

Theoretical calculations and experimental values from the recent literature are used to
construct and evaluate a high precision gas-phase acidity scale. Gas-phase acidities at 0 K …