The mechanistic paradigm in which the Schmittel cyclization transitions from one-step to
stepwise has been investigated through the stabilization of a full hidden intermediate in the …

In this work we report a computational study about the aza-SNAr mechanism in fluorine-and
chlorine-containing azines with the aim to unravel the physical factors that determine the …

Over the past two decades, photocatalytic synthesis has emerged as a major theme of
research within synthetic organic chemistry. This recent surge of interest has been motivated …

In this chapter, the diabatic model for intermediate stabilization (DMIS) is introduced as a
framework to rationalize the appearance or disappearance of reaction intermediates in …

This review deals with the photochemistry of the title compounds including photocatalytic
modification of alkenes, dienes and polyenes through a choice of the literature published …

This chapter reviews pericyclic reactions in general and reactions where a cascade of
concerted processes with transition states representing superpositions of two pericyclic …

The design of metal complex catalysts for the oxygen reduction reaction (ORR)[1] can be
assisted with the use of computational chemistry and Quantum Mechanics (QM) methods. In …