Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications
L Vereecken, DR Glowacki, MJ Pilling - Chemical reviews, 2015 - ACS Publications
Chemical kinetics is central in much of tropospheric chemistry and in modeling tropospheric
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …
Criegee intermediates: production, detection and reactivity
In the context of tropospheric chemistry, Criegee intermediates denote carbonyl oxides with
biradical/zwitterionic character (R1R2COO) that form during the ozonolysis of alkenes. First …
biradical/zwitterionic character (R1R2COO) that form during the ozonolysis of alkenes. First …
Tropospheric ozone and its precursors from the urban to the global scale from air quality to short-lived climate forcer
Ozone holds a certain fascination in atmospheric science. It is ubiquitous in the atmosphere,
central to tropospheric oxidation chemistry, yet harmful to human and ecosystem health as …
central to tropospheric oxidation chemistry, yet harmful to human and ecosystem health as …
Atmospheric chemistry of Criegee intermediates: Unimolecular reactions and reactions with water
Criegee intermediates are produced in the ozonolysis of unsaturated hydrocarbons in the
troposphere, and understanding their fate is a prerequisite to modeling climate-controlling …
troposphere, and understanding their fate is a prerequisite to modeling climate-controlling …
The physical chemistry of Criegee intermediates in the gas phase
DL Osborn, CA Taatjes - International Reviews in Physical …, 2015 - Taylor & Francis
Carbonyl oxides, also known as Criegee intermediates, are key intermediates in both gas
phase ozonolysis of unsaturated hydrocarbons in the troposphere and solution phase …
phase ozonolysis of unsaturated hydrocarbons in the troposphere and solution phase …
[HTML][HTML] Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates
YP Lee - The Journal of chemical physics, 2015 - pubs.aip.org
The Criegee intermediates, carbonyl oxides proposed by Criegee in 1949 as key
intermediates in the ozonolysis of alkenes, play important roles in many aspects of …
intermediates in the ozonolysis of alkenes, play important roles in many aspects of …
Toward spectroscopic accuracy for the structures of large molecules at DFT cost: Refinement and extension of the nano-LEGO approach
The SE100 database collecting accurate equilibrium geometries of medium size molecules
obtained by the semiexperimental (SE) approach has been extended to species containing …
obtained by the semiexperimental (SE) approach has been extended to species containing …
Criegee intermediates: What direct production and detection can teach us about reactions of carbonyl oxides
CA Taatjes - Annual Review of Physical Chemistry, 2017 - annualreviews.org
The carbonyl oxide intermediates in the ozonolysis of alkenes, often known as Criegee
intermediates, are potentially important reactants in Earth's atmosphere. For decades …
intermediates, are potentially important reactants in Earth's atmosphere. For decades …
Accurate thermochemistry at affordable cost by means of an improved version of the JunChS‐F12 model chemistry
S Di Grande, M Kállay, V Barone - Journal of Computational …, 2023 - Wiley Online Library
The junChS‐F12 composite method has been improved by means of the latest
implementation of the CCSD (F12*)(T+) ansatz and validated for the thermochemistry of …
implementation of the CCSD (F12*)(T+) ansatz and validated for the thermochemistry of …
A kinetic study of the CH 2 OO Criegee intermediate self-reaction, reaction with SO 2 and unimolecular reaction using cavity ring-down spectroscopy
R Chhantyal-Pun, A Davey, DE Shallcross… - Physical Chemistry …, 2015 - pubs.rsc.org
Criegee intermediates are important species formed during the ozonolysis of alkenes.
Reaction of stabilized Criegee intermediates with various species like SO2 and NO2 may …
Reaction of stabilized Criegee intermediates with various species like SO2 and NO2 may …