Kinetics for the reaction of Criegee intermediate CH2OO with n-butyraldehyde and its atmospheric implications
Abstract The Criegee intermediates (CIs), formed through ozone oxidation of unsaturated
hydrocarbons, can undergo reactions with various carbonyl compounds in the atmosphere …
hydrocarbons, can undergo reactions with various carbonyl compounds in the atmosphere …
External electric field as a catalyst for ammonia formation via reaction of N and N-heterocyclic carbene
Based on quantum chemical calculations, we have investigated an external electric field
(EEF) as a potential catalyst for ammonia formation from the reaction of N 2 with 3, 5-di-tert …
(EEF) as a potential catalyst for ammonia formation from the reaction of N 2 with 3, 5-di-tert …
Water as a catalyst in the reaction of nitrous acid (HONO) and Criegee intermediate (CH 2 OO)
The present work employs the CCSD (T)/CBS//M06-2X/aug-cc-pVTZ level of theory to
investigate the effect of a water monomer (WM) and dimer (WD) on the oxidation of nitrous …
investigate the effect of a water monomer (WM) and dimer (WD) on the oxidation of nitrous …
Nitrous acid (HONO) as a sink of the simplest Criegee intermediate in the atmosphere
In the present work, we have investigated the reaction of nitrous acid with the simplest
Criegee intermediate using chemical kinetics and quantum chemical calculations. It was …
Criegee intermediate using chemical kinetics and quantum chemical calculations. It was …
Substituent Dependence on the Reactions of Criegee Intermediates with Carbon Dioxide and Carbon Monoxide
K Takahashi - ChemPlusChem, 2023 - Wiley Online Library
Abstract Criegee intermediates (CIs), R1R2COO, are active molecules produced in the
atmosphere from the ozonolysis of alkenes. Here, we systematically evaluated the reactivity …
atmosphere from the ozonolysis of alkenes. Here, we systematically evaluated the reactivity …
Effect of (H 2 O) n (n= 1 and 2) on HOCl+ Cl reaction
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 …
HOCl+ Cl˙→ ClO˙+ HCl (R1), and HOCl+ Cl˙→ OH˙+ Cl2 (R2) reactions using quantum …
Can N2O act as a catalyst in the Atmosphere? A case study for the oxidation of CO by Criegee intermediate (CH2OO)
In the present work, we have studied the effect of N 2 O in the atmosphere as a catalyst for
the oxidation of CO by Criegee intermediate (CH 2 OO) by kinetics and quantum chemical …
the oxidation of CO by Criegee intermediate (CH 2 OO) by kinetics and quantum chemical …