Impact of temperature on the role of Criegee intermediates and peroxy radicals in dimer formation from -pinene ozonolysis
Abstract Stabilized Criegee intermediates (SCIs) and organic peroxy radicals (RO 2) are
critical in atmospheric oxidation processes and secondary organic aerosol (SOA) formation …
critical in atmospheric oxidation processes and secondary organic aerosol (SOA) formation …
Important oxidants and their impact on the environmental effects of aerosols
M Ge, S Tong, W Wang, W Zhang, M Chen… - The Journal of …, 2021 - ACS Publications
Oxidants are central species in the atmosphere, where they not only determine secondary
particle formation but also impact human health and climate change. In general, they are …
particle formation but also impact human health and climate change. In general, they are …
Gas phase acidity of water clusters
In the present work, we have estimated the gas-phase acidity of different water clusters,
ie,(H2O) n, n= 1–20, 30, 35, 42, 54, 80, and 100. The present work indicates that the gas …
ie,(H2O) n, n= 1–20, 30, 35, 42, 54, 80, and 100. The present work indicates that the gas …
Quantitative kinetics for the atmospheric reactions of Criegee intermediates with acetonitrile
YQ Zhang, Y Xia, B Long - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Obtaining quantitative kinetics of Criegee intermediates is of paramount significance in the
atmosphere. However, there are limited reports on the kinetics of Criegee intermediates …
atmosphere. However, there are limited reports on the kinetics of Criegee intermediates …
Oxidation of HOSO˙ by Cl˙: a new source of SO 2 in the atmosphere?
In the present work, we have studied the formation of SO2 in the atmosphere from the
oxidation of HOSO˙ by Cl˙ at the CCSD (T)/aug-cc-pV (+ d) TZ//MP2/aug-cc-pV (+ d) TZ level …
oxidation of HOSO˙ by Cl˙ at the CCSD (T)/aug-cc-pV (+ d) TZ//MP2/aug-cc-pV (+ d) TZ level …
Oxidation of HOSO by NH2: A new path for the formation of an acid rain precursor
In the present investigation, we have studied the possibility of the formation of SO 2 from the
oxidation of HOSO radical dot by NH radical dot 2 employing CCSD (T)/aug-cc …
oxidation of HOSO radical dot by NH radical dot 2 employing CCSD (T)/aug-cc …
How Do the Position and Number of Methyl Substituents Affect the Photochemical Process of Criegee Intermediate? Trajectory Surface-Hopping Dynamics of Four …
X Geng, Y Li, J Yang, F Liu - The Journal of Physical Chemistry A, 2024 - ACS Publications
Electronic-structure calculations combined with nonadiabatic trajectory surface-hopping
(TSH) dynamic simulations were carried out on two alkenyl-substituted Criegee …
(TSH) dynamic simulations were carried out on two alkenyl-substituted Criegee …
A potential source of tropospheric secondary organic aerosol precursors: The hydrolysis of N2O5 in water dimer and small clusters of sulfuric acid
M Wen, R Li, T Zhang, C Ding, Y Hu, R Mu… - Atmospheric …, 2022 - Elsevier
The hydrolysis of dinitrogen pentoxide (N 2 O 5) is not only a dominant sink for N 2 O 5
under atmospheric conditions but also a critical route in the formation of acid rains and …
under atmospheric conditions but also a critical route in the formation of acid rains and …
Novel Triple-Oxygen Isotope Study Indicates Unprecedented Ozone–Particulate Interaction Pathways in Atmospheric Pollution Chemistry
MC Liang, CH Huang, MH Thiemens… - ACS …, 2025 - ACS Publications
Ozone plays a fundamental role in the chemistry of the atmosphere, mediating oxidation
reactions in phases and at phase boundaries. Here, we investigate the least-explored solid …
reactions in phases and at phase boundaries. Here, we investigate the least-explored solid …
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 …