Nowadays, many chemical investigations are supported by routine calculations of molecular
structures, reaction energies, barrier heights, and spectroscopic properties. The lion's share …

After about three decades of development, the polyol process is now widely recognized and
practised as a unique soft chemical method for the preparation of a large variety of …

The catalytic conversion of biomass and derivatives to chemicals has been the subject of
intense research efforts during the past decade resulting in a 20% annual increase in the …

Electrochemical CO2 conversion to chemical products is a promising strategy for
sustainable industrial development. However, the success of this approach requires an in …

Density functional theory (DFT) was used to determine the potential-dependent reaction free
energies and activation barriers for several reaction paths of carbon dioxide (CO 2) …

Solvents are crucial components in specialty chemical and pharmaceutical industries and in
electrochemical and photoelectrochemical processes, and are increasingly being used in …

Aqueous‐phase hydrodeoxygenation (APH) of bioderived feedstocks into useful chemical
building blocks is one the most important processes for biomass conversion. However …

While Ru is a poor hydrogenation catalyst compared to Pt or Pd in the gas phase, it is
efficient under aqueous phase conditions in the hydrogenation of ketones such as the …

Selective CO2 reduction to formate with high-added value is one of the most technologically
and economically feasible pathways to realize electrochemical CO2 fixation. Bismuth-based …

Ru and Co catalyze Fischer–Tropsch synthesis (FTS) with high rates and C5+ selectivities
using stoichiometric synthesis gas and provide the preferred route to liquid fuels and …