Reported here is the first catalytic atroposelective electrophilic amination of indoles, which
delivers functionalized atropochiral N‐sulfonyl‐3‐arylaminoindoles with excellent optical …

To provide α-polyfluoroarylalcohols, a novel protocol for the selective defluoroalkylation of
polyfluoroarenes with easily accessible alcohols was reported via the cooperation of …

Hydrocarbons resulting from petrol, natural gas, and biomass penetrated industry and daily
life because of energy consumption. Therefore, their adsorption mechanism needs to be …

In the context of the conceptual density functional theory (cDFT) and based on the
computational efficiency of the constrained DFT (CDFT), we demonstrate that chemical …

This study investigated the kinetics and reaction mechanisms associated with advanced
oxidation of 2, 4‐dinitroanisole (DNAN) with light emitting diodes (LEDs) in the UV/H2O2 …

Context In a proof-of-concept study, we explore how a combined approach using the
topology of the electron localization function (ELF) and the condensed dual descriptor (DD) …

In this contribution, we recall and test a new methodology designed to identify the favorable
reaction pathway between two reactants. Applied to the formation of the DNA guanine (G) …

In this article, the activation of N− O bonds in NO2 molecules has been investigated by
Density Functional Theory (DFT) calculations. Considering the graphene‐based MnN4 …

This study used experimental and computational analysis to investigate the advanced
oxidation of bisphenol A (BPA) and 2, 4‐dinitroanisole (DNAN). The pseudo first‐order …

Topology of the Electronic Current Density Induced by a Static Magnetic Field in Lithium
Hydride, Water, Ammonia and Methane Molecules IRIS IRIS Home Sfoglia Macrotipologie & …