Theoretical Studies on the Kinetics of Multi-Channel Gas-Phase Unimolecular Decomposition of Acetaldehyde

Vahid Saheb; S. Rasoul Hashemi; S. Mohammad Ali Hosseini

doi:10.1021/acs.jpca.7b04771

Theoretical Studies on the Kinetics of Multi-Channel Gas-Phase Unimolecular Decomposition of Acetaldehyde

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b04771 ◽

2017 ◽

Vol 121 (37) ◽

pp. 6887-6895 ◽

Cited By ~ 3

Author(s):

Vahid Saheb ◽

S. Rasoul Hashemi ◽

S. Mohammad Ali Hosseini

Keyword(s):

Gas Phase ◽

Theoretical Studies ◽

Unimolecular Decomposition ◽

Kinetics Of

A Combined Experimental and Theoretical Study of the Homogeneous, Unimolecular Decomposition Kinetics of 3-Chloropivalic Acid in the Gas Phase

The Journal of Physical Chemistry A ◽

10.1021/jp003560t ◽

2001 ◽

Vol 105 (10) ◽

pp. 1869-1875 ◽

Cited By ~ 3

Author(s):

Gabriel Chuchani ◽

Alexandra Rotinov ◽

Juan Andrés ◽

Luís R. Domingo ◽

V. Sixte Safont

Keyword(s):

Gas Phase ◽

Theoretical Study ◽

Decomposition Kinetics ◽

Unimolecular Decomposition ◽

Kinetics Of

Experimental and Theoretical Studies of the Homogeneous, Unimolecular Gas-Phase Elimination Kinetics of Trimethyl Orthovalerate and Trimethyl Orthochloroacetate

The Journal of Physical Chemistry A ◽

10.1021/jp1005296 ◽

2010 ◽

Vol 114 (12) ◽

pp. 4203-4209 ◽

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Author(s):

Edgar Marquez ◽

Rosa M. Domínguez ◽

José R. Mora ◽

Tania Córdova ◽

Gabriel Chuchani

Keyword(s):

Gas Phase ◽

Theoretical Studies ◽

Elimination Kinetics ◽

Kinetics Of ◽

Experimental And Theoretical Studies ◽

Phase Elimination

Experimental and theoretical studies of gas phase NO3 and OH radical reactions with formaldehyde, acetaldehyde and their isotopomersElectronic supplementary information (ESI) available: program package FACSIMILE for simulation of the complex set of reactions and the kinetics of the reactor system. Kinetic data from the acetaldehyde studies, the spectral ranges and the compounds included in the subtraction procedures, and a full report of the statistical analyses. Calculated energies of the reactants, intermediate stationary points of the potential energy surface, and the products. Calculated vibrational wavenumbers of the reactants and transition states. See http://www.rsc.org/suppdata/cp/b2/b211234p/

Physical Chemistry Chemical Physics ◽

10.1039/b211234p ◽

2003 ◽

Vol 5 (9) ◽

pp. 1790-1805 ◽

Cited By ~ 48

Author(s):

Barbara D'Anna ◽

Vebjørn Bakken ◽

Jon Are Beukes ◽

Claus J. Nielsen ◽

Katarzyna Brudnik ◽

...

Keyword(s):

Gas Phase ◽

Energy Surface ◽

Stationary Points ◽

Supplementary Information ◽

Theoretical Studies ◽

Oh Radical ◽

Spectral Ranges ◽

Kinetics Of ◽

Experimental And Theoretical Studies ◽

Vibrational Wavenumbers

Thermochemical kinetics of the retro-ene reactions of molecules with the general structure (allyl)XYH in the gas phase. 6. Concerted unimolecular decomposition of hepta-1,6-diene

Journal of the American Chemical Society ◽

10.1021/ja00816a009 ◽

1974 ◽

Vol 96 (9) ◽

pp. 2714-2719 ◽

Cited By ~ 23

Author(s):

Kurt W. Egger ◽

Peter Vitins

Keyword(s):

Gas Phase ◽

General Structure ◽

Unimolecular Decomposition ◽

Ene Reactions ◽

Thermochemical Kinetics ◽

Kinetics Of

Theoretical studies on the gas-phase elimination kinetics of 2-arylethyl N,N-dimethylcarbamates [(CH3)2NCOOCH2CH2Z, Z=4-CH3C6H4, 4-CH3OC6H4, 4-NO2C6H4]

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.11.035 ◽

2007 ◽

Vol 811 (1-3) ◽

pp. 109-115

Author(s):

Rafael J. Castellar H ◽

M. Loroño ◽

Tania Córdova ◽

Gabriel Chuchani

Keyword(s):

Gas Phase ◽

Theoretical Studies ◽

Elimination Kinetics ◽

Kinetics Of ◽

Phase Elimination

ChemInform Abstract: THERMOCHEMICAL KINETICS OF THE RETRO-′ENE′ REACTIONS OF MOLECULES WITH THE GENERAL STRUCTURE (ALLYL)XYH IN THE GAS PHASE PART 6, THE CONCERTED UNIMOLECULAR. DECOMPOSITION OF HEPTA-1,6-DIENE

Chemischer Informationsdienst ◽

10.1002/chin.197427133 ◽

1974 ◽

Vol 5 (27) ◽

pp. no-no

Author(s):

KURT W. EGGER ◽

PETER VITINS

Keyword(s):

Gas Phase ◽

General Structure ◽

Unimolecular Decomposition ◽

Ene Reactions ◽

Thermochemical Kinetics ◽

Kinetics Of

Theoretical studies of the gas-phase pyrolysis kinetics of ω-bromonitriles, ZCH2 CH2 Br [Z = NC, NCCH2 , NCCH2 CH2 ]

International Journal of Chemical Kinetics ◽

10.1002/kin.20392 ◽

2008 ◽

Vol 41 (3) ◽

pp. 168-175 ◽

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Author(s):

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Marcos Loroño ◽

Jose R. Mora ◽

Rosa M. Dominguez ◽

Tania Cordova ◽

...

Keyword(s):

Gas Phase ◽

Theoretical Studies ◽

Pyrolysis Kinetics ◽

Kinetics Of

Experimental and theoretical studies of the elimination kinetics of 3-hydroxy-3-methyl-2-butanone in the gas phase

Journal of Physical Organic Chemistry ◽

10.1002/poc.913 ◽

2005 ◽

Vol 18 (7) ◽

pp. 595-601

Author(s):

Mariana Graterol ◽

Alexandra Rotinov ◽

Tania Cordova ◽

Gabriel Chuchani

Keyword(s):

Gas Phase ◽

Theoretical Studies ◽

Elimination Kinetics ◽

Kinetics Of ◽

Experimental And Theoretical Studies

Experimental and theoretical studies of the reactions of chlorine atoms with 1,2-dichloroethane and 1,2-dichloroethane-d4 in the gas phase. The kinetics of hydrogen atom abstraction from the –CH2Cl group in chloroethane and 1,2-dichloroethane

Chemical Physics Letters ◽

10.1016/j.cplett.2014.02.026 ◽

2014 ◽

Vol 597 ◽

pp. 86-93 ◽

Cited By ~ 2

Author(s):

Dariusz S. Sarzyński ◽

Łukasz Fojcik ◽

Agnieszka A. Gola ◽

Ryszard Berkowski ◽

Jerzy T. Jodkowski ◽

...

Keyword(s):

Hydrogen Atom ◽

Gas Phase ◽

Hydrogen Atom Abstraction ◽

Theoretical Studies ◽

Chlorine Atoms ◽

Kinetics Of ◽

Experimental And Theoretical Studies

The thermochemical kinetics of retro- ?ene? reactions of molecules with the general structure (allyl) XYH in the gas phase. IX. The thermal unimolecular decomposition of ethyallylether in the gas phase

International Journal of Chemical Kinetics ◽

10.1002/kin.550060312 ◽

1974 ◽

Vol 6 (3) ◽

pp. 429-435 ◽

Cited By ~ 23

Author(s):

Kurt W. Egger ◽

Peter Vitins

Keyword(s):

Gas Phase ◽

General Structure ◽

Unimolecular Decomposition ◽

Ene Reactions ◽

Thermochemical Kinetics ◽

Kinetics Of