We provide a critical overview of progress and challenges in computationally modeling
multistep reaction mechanisms relevant for catalysis and electrocatalysis. We first discuss …

Abstract (Hetero) arene reduction is one of the key avenues for synthesizing related cyclic
alkenes and alkanes. While catalytic hydrogenation and Birch reduction are the two broadly …

We have used computational quantum chemistry and atomistic thermodynamics to identify
reaction intermediates for CO2 electroreduction on partially reduced tin oxide electrodes …

Dihydropyridines (DHPs) have been postulated as active intermediates in the pyridine-
mediated electrochemical conversion of CO2 to methanol; however, the ability of isolated …

Ascorbic acid is the most well-known vitamin found in different types of food. It has
tremendous medical applications in several different fields such as in pharmaceuticals …

Gas-phase ion-mobility spectrometry provides a unique platform to study the effect of mobile
charge (s) or charge location on collisional cross section and ion separation. Here, we …

Facile photoreductive protocols have been developed to remove benzyl O-protective groups
from oxyarene N-heterocycles at positions capable for 2-/4-O-pyridine–2-/4-pyridone …

The electrochemistry of pyridines in acidic solution is dominated by a 'weak acid'reduction
on the cyclic voltammetry timescale. Here we show that electrochemical hydrogenation of a …

Abstract The synthesis of N-(2-SF 5-ethyl) amines is reported via the SN 2 reaction between
various amines and 2-(pentafluoro-λ 6-sulfanyl) ethyl trifluoromethanesulfonate as the SF 5 …

The direct electrochemical hydrogenation of unsaturated organic compounds containing CN
and CO bonds using glassy carbon electrodes and a widely available Brønsted acid is …