Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have
become a powerful tool for the semiquantitative study of organic reactivity. A large number of …

Diels–Alder cycloaddition reaction is one of the most powerful strategies for the construction
of six-membered carbocyclic and heterocyclic systems, in most cases with high regio-and …

The reactions of bicyclic enone (BCE, 1) with cyclopentadiene (Cp, 2) and the five-
membered heterocyclic compounds (FHCs) furan 3 and N-methyl pyrrole 4 for the …

Electrocatalytic reduction of carbon dioxide has been studied using modified electrodes with
conducting polymers from tetra-amino-phenyl porphyrins containing transition metals (Zn (II) …

Thermodynamics and the solvent role in the acceleration of the Diels–Alder reaction
between cyclopentadiene (CPD) and methyl vinyl ketone (MVK) have been revisited. In this …

Self-regenerating, polymer-based textiles emulate living organisms' ability to heal broken
skin and other lesser injuries. To achieve this effect, either intrinsic or extrinsic methods of …

Mechanistic aspects of the dramatic enhancement of rates of Diels‐Alder reaction between
some neutral substrates when carried out in water as compared to organic solvents are …

A one‐pot procedure involving a four‐component Ugi reaction followed by an intramolecular
Diels–Alder reaction/HCl elimination cascade has been developed to provide rapid access …

Theoretical scales of reactivity and selectivity are important tools to explain and to predict
reactivity patterns, including reaction mechanisms. The main achievement of these efforts …

Abstract The G3 (MP2)-CEP and G3 (MP2) theories are applied to analyze the energetic
tendency of six Diels-Alder reactions. Different energetic data were analyzed in this paper …