In the current Perspective article, we critically review and discuss the importance of solvent
effects on multicomponent reactions, likely the most neglected aspect in this research field …

Modern heterogeneous catalysis has benefitted immensely from computational predictions
of catalyst structure and its evolution under reaction conditions, first-principles mechanistic …

Heterogeneous electrocatalysts exhibit immense potential for advancing energy
technologies. However, the constraints associated with noble metals have sparked a surge …

Condensed phase selective transformation of biomass to platform chemicals is susceptible
to the solvent environment. Selectivities and conversions in several key acid-catalyzed …

The description of substituents as electron donating or withdrawing leads to a perceived
dominance of through‐bond influences. The situation is compounded by the challenge of …

In this paper, the performance of a wide range of DFT methods is assessed for the
calculation of interaction energies of thermal clusters of a solute in water. Three different …

Understanding solvent effects on catalysis is pivotal to a more energy-efficient process
design. This research elucidated the effects of binary solvent systems (mixtures of H2O and …

Carbohydrate utilization is a crucial aspect of sustainable resource development and offers
a promising avenue for replacing fossil fuels. In carbohydrate reaction systems, solvent …

Understanding liquid–metal interfaces in catalysis is important, as the liquid can speed up
surface reactions, increase the selectivity of products, and open up new favorable reaction …

Rational catalyst design and optimal solvent selection are key to advancing biorefining.
Here, we explored the organocatalytic isomerization of d-fructose to a valuable rare …