In this tutorial review, we provide an overview of heterogeneous Diels–Alder catalysis for the
production of lignocellulosic biomass-derived aromatic compounds. Diels–Alder reactions …

Diels-Alder reaction is a powerful tool employed frequently for the synthesis of six-
membered ring systems with excellent stereoselective control. 1 The memorable publication …

A molecular origin of the striking rate increase observed in a reaction on water is studied
theoretically. A key aspect of the on-water rate phenomenon is the chemistry between water …

We present a detailed mechanism for the conversion of DMF (2, 5-dimethylfuran) and
ethylene to p-xylene, obtained by gas-phase DFT electronic structure calculations. The …

A revision of the most typical examples used to illustrate the existence of secondary orbital
interactions (SOI) has been achieved. However, our analysis indicates that no conclusive …

There is a widespread perception that the high level of endo selectivity witnessed in many
Diels–Alder reactions is an intrinsic feature of the transformation. In contrast to expectations …

Two Diels− Alder type reactions, ie, normal electron demand (NED) between 1, 3-butadiene
(BD) and acrolein (Acr) and inverse electron demand (IED) between 2, 4-pentadienal (PDA) …

The molecular mechanisms for the inverse-electron-demand Diels− Alder reactions between
nitroethene and three substituted ethenes (propene, methyl vinyl ether, and …

The transition structures (TSs) for a series of related Diels− Alder reactions between
cyclopentadiene and mono-, di-, tri-, and tetracyanoethylene derivatives have been studied …

The aim of this work was to determine the parameters that have decisive roles in microwave‐
assisted reactions and to develop a model, using computational chemistry, to predict a priori …