Jithin John Varghese

TL;DR: In this article, the authors discuss the fundamental reasons behind observed solvent effects with suitable examples, and provide an overview of some of these methods and their application and potential to demonstrate their application.

TL;DR: In this article, an unconventional strategy for the synthesis of CuO nanoleaves within 5 min of US irradiation was reported, which was found to be selective in the base-free aqueous oxidation of glycerol to dicarboxylic acids (78% yield of tartronic and oxalic acids), in the presence of hydrogen peroxide (H2O2) and under mild reaction conditions.

TL;DR: In this article, it was shown that the under-coordinated lattice Cu-O pair on different CuO surfaces synergistically activated methane with barriers as low as 60.5 kJ mol−1 on the high-energy CuO(010) surface and 76.6 kJmol−1 in the most stable CuO (111) surface.

TL;DR: The mechanism of glucose ring opening and isomerization to fructose, catalyzed by the Lewis acid catalyst CrCl3 in the presence of water, is investigated using Car-Parrinello molecular dynamics with metadynamics and minimum energy pathways for the reactions are revealed and the corresponding free energy barriers are computed.

TL;DR: Using density functional theory (DFT) calculations, Wang et al. as mentioned in this paper investigated the reactivity of two different crystal facets of NiO and reveal the contribution of the coordinatively unsaturated NiO pairs, nickel and oxygen vacancies, and low valent dopant Li in determining and altering the surface reactivity.