Insights into mechanistic photodissociation of chloroacetone from a combination of electronic structure calculation and molecular dynamics simulation
Author:
Funder
National Natural Science Foundation of China
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3660356
Reference47 articles.
1. A kinetic and mechanistic study of the gas-phase reactions of OH radicals and Cl atoms with some halogenated acetones and their atmospheric implications
2. Rate coefficients and mechanisms of the reaction of cl-atoms with a series of unsaturated hydrocarbons under atmospheric conditions
3. Characterization of HOCl Using Atmospheric Pressure Ionization Mass Spectrometry
4. Mixture Toxicity of SN2-Reactive Soft Electrophiles: 1. Evaluation of Mixtures Containing α-Halogenated Acetonitriles
5. Chloroacetones in pulp mill chlorination-stage effluents
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1. Primary Product Branching in the Photodissociation of Chloroacetaldehyde at 157 nm;The Journal of Physical Chemistry A;2017-09-01
2. Ketenes as Privileged Synthons in the Synthesis of Heterocyclic Compounds Part 3;Advances in Heterocyclic Chemistry;2016
3. Excited-State Ring-Opening Mechanism of Cyclic Ketones: A MS-CASPT2//CASSCF Study;The Journal of Physical Chemistry A;2015-04-01
4. Mechanistic photodecarboxylation of pyruvic acid: Excited-state proton transfer and three-state intersection;The Journal of Chemical Physics;2014-10-21
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