Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study

Moises Cordova-Gomez; Cristina Iuga; Juan Raúl Alvarez-Idaboy

doi:10.1002/qua.24149

Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study

International Journal of Quantum Chemistry ◽

10.1002/qua.24149 ◽

2012 ◽

Vol 112 (21) ◽

pp. 3508-3515 ◽

Cited By ~ 13

Author(s):

Moises Cordova-Gomez ◽

Cristina Iuga ◽

Juan Raúl Alvarez-Idaboy

Keyword(s):

Hydroxyl Radicals ◽

Rate Constants ◽

Theoretical Study ◽

Atmospheric Oxidation

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Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution

Journal of Physical and Chemical Reference Data ◽

10.1063/1.555805 ◽

1988 ◽

Vol 17 (2) ◽

pp. 513-886 ◽

Cited By ~ 6496

Author(s):

George V. Buxton ◽

Clive L. Greenstock ◽

W. Phillips Helman ◽

Alberta B. Ross

Keyword(s):

Aqueous Solution ◽

Hydroxyl Radicals ◽

Rate Constants ◽

Critical Review ◽

Hydrogen Atoms ◽

Hydrated Electrons

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Determination of rate constants for the reaction of hydroxyl radicals with some purines and pyrimidines using sunlight

Journal of Biochemical and Biophysical Methods ◽

10.1016/s0165-022x(99)00054-8 ◽

2000 ◽

Vol 42 (3) ◽

pp. 115-124 ◽

Cited By ~ 5

Author(s):

Jiju M. Joseph ◽

C.T. Aravindakumar

Keyword(s):

Hydroxyl Radicals ◽

Rate Constants ◽

Purines And Pyrimidines

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Discharge flow measurements of the rate constants for the reaction OH + SO2 + He and HOSO2 + O2 in relation with the atmospheric oxidation of sulfur dioxide

The Journal of Physical Chemistry ◽

10.1021/j100408a061 ◽

1986 ◽

Vol 90 (17) ◽

pp. 4143-4147 ◽

Cited By ~ 25

Author(s):

D. Martin ◽

J. L. Jourdain ◽

G. Le Bras

Keyword(s):

Sulfur Dioxide ◽

Rate Constants ◽

Atmospheric Oxidation ◽

Flow Measurements ◽

Discharge Flow

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Mechanism of photodegradation of aqueous organic pollutants. 2. Measurement of the primary rate constants for reaction of hydroxyl radicals with benzene and some halobenzenes using an EPR spin-trapping method following the photolysis of hydrogen peroxide

Environmental Science & Technology ◽

10.1021/es00026a004 ◽

1992 ◽

Vol 26 (2) ◽

pp. 262-265 ◽

Cited By ~ 98

Author(s):

Jan Kochany ◽

James R. Bolton

Keyword(s):

Hydrogen Peroxide ◽

Organic Pollutants ◽

Hydroxyl Radicals ◽

Rate Constants ◽

Spin Trapping ◽

Trapping Method ◽

Epr Spin Trapping

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Theoretical study on HO2 -initiated atmospheric oxidation of halogenated carbonyls

International Journal of Quantum Chemistry ◽

10.1002/qua.23189 ◽

2011 ◽

Vol 112 (8) ◽

pp. 1926-1935 ◽

Cited By ~ 3

Author(s):

Bo Long ◽

Zheng-Wen Long ◽

Yi-Bo Wang ◽

Wei-Jun Zhang ◽

Chao-Yun Long ◽

...

Keyword(s):

Theoretical Study ◽

Atmospheric Oxidation

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Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(Σ+2)+C4H2(Σg+1) and C4H(Σ+2)+C2H2(Σg+1) reactions

The Journal of Chemical Physics ◽

10.1063/1.2929821 ◽

2008 ◽

Vol 128 (21) ◽

pp. 214301 ◽

Cited By ~ 25

Author(s):

Alexander Landera ◽

Sergey P. Krishtal ◽

Vadim V. Kislov ◽

Alexander M. Mebel ◽

Ralf I. Kaiser

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Rate Constants ◽

Energy Surface ◽

Theoretical Study ◽

Branching Ratios ◽

Product Branching

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An experimental and theoretical study of the kinetics of the reaction between 3-hydroxy-3-methyl-2-butanone and OH radicals

RSC Advances ◽

10.1039/c4ra15664a ◽

2015 ◽

Vol 5 (34) ◽

pp. 26559-26568 ◽

Cited By ~ 10

Author(s):

Angappan Mano Priya ◽

Gisèle El Dib ◽

Lakshmipathi Senthilkumar ◽

Chantal Sleiman ◽

Alexandre Tomas ◽

...

Keyword(s):

Rate Constants ◽

Theoretical Study ◽

Oh Radicals ◽

First Time ◽

Kinetics Of

Absolute experimental and theoretical rate constants are determined for the first time for the reaction of 3-hydroxy-3-methyl-2-butanone with OH as a function of temperature. The atmospheric implications are discussed.

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Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway

The Journal of Physical Chemistry A ◽

10.1021/jp500124m ◽

2014 ◽

Vol 118 (20) ◽

pp. 3625-3636 ◽

Cited By ~ 18

Author(s):

Abolfazl Shiroudi ◽

Michael S. Deleuze

Keyword(s):

Hydroxyl Radicals ◽

Theoretical Study ◽

Oxidation Mechanisms

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THEORETICAL STUDY ON THE ISOMERIZATIONPHOTODECOMPOSITION OF FORMYL CHLORIDE——Theoretical Calculation on Chemical Equilibrium Constants and Kinetical Rate Constants at ab initio Level

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb19890613 ◽

1989 ◽

Vol 5 (06) ◽

pp. 712-714

Author(s):

Ju Guanzhi ◽

◽

Chen Dezhan ◽

Deng Conghao ◽

Han Jun ◽

...

Keyword(s):

Ab Initio ◽

Theoretical Calculation ◽

Chemical Equilibrium ◽

Rate Constants ◽

Theoretical Study ◽

Equilibrium Constants

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ChemInform Abstract: RATE CONSTANTS FOR THE GAS-PHASE REACTIONS OF HYDROXYL RADICALS WITH β,β-DIMETHYLSTYRENE AND ACETONE. MECHANISM OF β,β-DIMETHYLSTYRENE NITROGEN OXIDE (NOX)-AIR PHOTOOXIDATION

Chemischer Informationsdienst ◽

10.1002/chin.198341100 ◽

1983 ◽

Vol 14 (41) ◽

Author(s):

C. CHIORBOLI ◽

C. A. BIGNOZZI ◽

A. MALDOTTI ◽

P. F. GIARDINI ◽

A. ROSSI ◽

...

Keyword(s):

Nitrogen Oxide ◽

Gas Phase ◽

Hydroxyl Radicals ◽

Rate Constants ◽

Gas Phase Reactions

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