Bimolecular reaction of nitrous oxide (N2O) with hydroperoxy radical (HO2•): A computational study

VJ Anand, P Kumar - Computational and Theoretical Chemistry, 2024 - Elsevier
In the present work, we have studied the reaction of N 2 O with the HO 2 radical, employing
kinetics and quantum chemical calculations. For quantum chemical calculations, we used …

Effect of (H 2 O) n (n= 1 and 2) on HOCl+ Cl reaction

A Kumar, P Kumar - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
In the present work, we investigate the effect of water molecules (H2O and (H2O) 2) on
HOCl+ Cl˙→ ClO˙+ HCl (R1), and HOCl+ Cl˙→ OH˙+ Cl2 (R2) reactions using quantum …