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Physical Chemistry Chemical Physics : PCCP
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May 21, 2010
An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H(3)COCH(3-x)(CH(3))(x), x = 0-2, by OH; mechanism and kinetics
Chong-Wen Zhou, John M Simmie, Henry J Curran
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2011
Ab initio and kinetic study of the reaction of ketones with OH for T = 500-2000 K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)(CH3)x, x = 0 ↦ 2
Chong-Wen Zhou, John M Simmie, Henry J Curran
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 12, 2008
Ketene thermochemistry
John M Simmie, Wayne K Metcalfe, Henry J Curran
The Journal of Physical Chemistry. A
|
May 26, 2006
Chemical kinetic modeling study of the effects of oxygenated hydrocarbons on soot emissions from diesel engines
Charles K Westbrook, William J Pitz, Henry J Curran
The Journal of Physical Chemistry. A
|
March 24, 2015
Revisiting the Kinetics and Thermodynamics of the Low-Temperature Oxidation Pathways of Alkanes: A Case Study of the Three Pentane Isomers
John Bugler, Kieran P Somers, Emma J Silke, et al.
The Journal of Physical Chemistry. A
|
September 9, 2017
Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ<sub>4</sub>H<sub>7</sub> Potential Energy Surface
Yang Li, Stephen J Klippenstein, Chong-Wen Zhou, et al.
The Journal of Physical Chemistry. A
|
October 1, 2019
Ab Initio/Transition-State Theory Study of the Reactions of Ċ<sub>5</sub>H<sub>9</sub> Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants
Yanjin Sun, Chong-Wen Zhou, Kieran P Somers, et al.
The Journal of Physical Chemistry. A
|
July 10, 2008
Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4
Jorge Aguilera-Iparraguirre, Henry J Curran, Wim Klopper, et al.
The Journal of Physical Chemistry. A
|
June 8, 2021
Hierarchical Study of the Reactions of Hydrogen Atoms with Alkenes: A Theoretical Study of the Reactions of Hydrogen Atoms with C<sub>2</sub>-C<sub>4</sub> Alkenes
Jennifer Power, Kieran P Somers, Shashank S Nagaraja, et al.
The Journal of Physical Chemistry. A
|
May 9, 2008
Enthalpies of formation and bond dissociation energies of lower alkyl hydroperoxides and related hydroperoxy and alkoxy radicals
John M Simmie, Gráinne Black, Henry J Curran, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 42) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
May 21, 2010
An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H(3)COCH(3-x)(CH(3))(x), x = 0-2, by OH; mechanism and kinetics
Chong-Wen Zhou, John M Simmie, Henry J Curran
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2011
Ab initio and kinetic study of the reaction of ketones with OH for T = 500-2000 K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)(CH3)x, x = 0 ↦ 2
Chong-Wen Zhou, John M Simmie, Henry J Curran
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 12, 2008
Ketene thermochemistry
John M Simmie, Wayne K Metcalfe, Henry J Curran
The Journal of Physical Chemistry. A
|
May 26, 2006
Chemical kinetic modeling study of the effects of oxygenated hydrocarbons on soot emissions from diesel engines
Charles K Westbrook, William J Pitz, Henry J Curran
The Journal of Physical Chemistry. A
|
March 24, 2015
Revisiting the Kinetics and Thermodynamics of the Low-Temperature Oxidation Pathways of Alkanes: A Case Study of the Three Pentane Isomers
John Bugler, Kieran P Somers, Emma J Silke, et al.
The Journal of Physical Chemistry. A
|
September 9, 2017
Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ<sub>4</sub>H<sub>7</sub> Potential Energy Surface
Yang Li, Stephen J Klippenstein, Chong-Wen Zhou, et al.
The Journal of Physical Chemistry. A
|
October 1, 2019
Ab Initio/Transition-State Theory Study of the Reactions of Ċ<sub>5</sub>H<sub>9</sub> Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants
Yanjin Sun, Chong-Wen Zhou, Kieran P Somers, et al.
The Journal of Physical Chemistry. A
|
July 10, 2008
Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4
Jorge Aguilera-Iparraguirre, Henry J Curran, Wim Klopper, et al.
The Journal of Physical Chemistry. A
|
June 8, 2021
Hierarchical Study of the Reactions of Hydrogen Atoms with Alkenes: A Theoretical Study of the Reactions of Hydrogen Atoms with C<sub>2</sub>-C<sub>4</sub> Alkenes
Jennifer Power, Kieran P Somers, Shashank S Nagaraja, et al.
The Journal of Physical Chemistry. A
|
May 9, 2008
Enthalpies of formation and bond dissociation energies of lower alkyl hydroperoxides and related hydroperoxy and alkoxy radicals
John M Simmie, Gráinne Black, Henry J Curran, et al.
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of 5