Composite ab initio methods are multistep theoretical procedures specifically designed to
obtain highly accurate thermochemical and kinetic data with confident sub‐kcal mol− 1 or …

The heat transfer oils dibenzyltoluene and benzyltoluene are promising materials as a new
class of liquid organic hydrogen carrier compounds (LOHC). Thermophysical properties …

A compendium of phase change enthalpies published in 2010 is updated to include the
period 1880–2015. Phase change enthalpies including fusion, vaporization, and …

This compendium completes a previous report published in 2016 [2016ACR/CHI] on phase
change enthalpies. Paper I of this compendium includes over 6600 organic compounds …

An approach for the calculation of the vaporization enthalpies of aromatic and
heteroaromatic compounds at T= 298.15 K with accuracy competitive with experiment was …

In search for a feasible replacement for fossil fuels, there has been extensive research into
biofuels in the past few decades. Oxygenated compounds, such as anisole, in particular …

The liquid organic hydrogen carriers (LOHC) are aromatic molecules, which can be
considered as an attractive option for the storage and transport of hydrogen. A considerable …

Computational electronic structure calculations are routinely undertaken to predict
thermodynamic properties of various species. However, the application of highly accurate …

One of the promising directions for accumulating hydrogen is its binding into a liquid organic
hydrogen carrier (LOHC). In this concept, a LOHC is loaded with hydrogen (hydrogenation) …

In the present work vapour pressures temperature dependencies for isomeric methyl
hydroxybenzoates over the liquid and solid phases were measured by transpiration method …