alkylperoxy radicals
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scholarly journals A structure activity relationship for ring closure reactions in unsaturated alkylperoxy radicals

2021 ◽  
Author(s):  
Luc Vereecken ◽  
Giang Vu ◽  
Andreas Wahner ◽  
Astrid Kiendler-Scharr ◽  
Hue Thi Minh Nguyen
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Structure Activity Relationship ◽  
Ring Closure ◽  
Activity Relationship ◽  
Peroxy Radicals ◽  
Important Class ◽  
Structure Activity ◽  
Volatile Organic ◽  
Alkylperoxy Radicals

Terpenoids are an important class of multi-unsaturated volatile organic compounds emitted to the atmosphere. During their oxidation in the troposphere, unsaturated peroxy radicals are formed, which may undergo ring closure...

Theoretical Study on Reactions of Alkylperoxy Radicals

2019 ◽  
Vol 123 (18) ◽  
pp. 3949-3958 ◽  
Author(s):  
Yanjiao Xu ◽  
Shuanghui Xi ◽  
Fan Wang ◽  
Xiangyuan Li
Keyword(s):  
Theoretical Study ◽  
Alkylperoxy Radicals

A Computational Kinetics Study on the Intramolecular Hydrogen Shift Reactions of Alkylperoxy Radicals in 2-Methyltetrahydrofuran Oxidation

2017 ◽  
Vol 49 (6) ◽  
pp. 419-437 ◽  
Author(s):  
Prajakta R. Parab ◽  
Naoki Sakade ◽  
Yasuyuki Sakai ◽  
Ravi Fernandes ◽  
K. Alexander Heufer
Keyword(s):  
Kinetics Study ◽  
Hydrogen Shift ◽  
Intramolecular Hydrogen ◽  
Alkylperoxy Radicals

Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity

2017 ◽  
Vol 19 (23) ◽  
pp. 15073-15083 ◽  
Author(s):  
Qiangli Zhao ◽  
Fengyi Liu ◽  
Weina Wang ◽  
Chunying Li ◽  
Jian Lü ◽  
...  
Keyword(s):  
Interatomic Distance ◽  
Transition States ◽  
Spin Population ◽  
Criegee Intermediates ◽  
Alkylperoxy Radicals

Methyl substituents tune ΔE and ΔG, thereby exhibiting correlations with spin population, interatomic distance, E(2) and NPA charges in their transition states.

Classification of the Reactivity of Alkylperoxy Radicals by Using a Steady-State Analysis

2015 ◽  
Author(s):  
Yasuyuki Sakai ◽  
Daisuke Nakayama ◽  
Yusuke Asano ◽  
Kazunari Kuwahara ◽  
Akira Miyoshi ◽  
...  
Keyword(s):  
Steady State ◽  
Steady State Analysis ◽  
Alkylperoxy Radicals ◽  
State Analysis

scholarly journals Calculation of Rate Constants for Intramolecular Hydrogen Migration Reactions of Alkylperoxy Radicals

2015 ◽  
Vol 31 (5) ◽  
pp. 859-865
Author(s):  
LI Shang-Jun ◽  
◽  
TAN Ning-Xin ◽  
YAO Qian ◽  
LI Ze-Rong ◽  
...  
Keyword(s):  
Rate Constants ◽  
Hydrogen Migration ◽  
Intramolecular Hydrogen ◽  
Alkylperoxy Radicals

Ab Initio Study of Hydrogen Migration in 1-Alkylperoxy Radicals

2010 ◽  
Vol 114 (43) ◽  
pp. 11492-11505 ◽  
Author(s):  
Alexander C. Davis ◽  
Joseph S. Francisco
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Hydrogen Migration ◽  
Alkylperoxy Radicals
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