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Detailed kinetics of hydrogen abstraction from trans -decalin by OH radicals: the role of hindered internal rotation treatment

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (44), p.25740-25746

2020

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Ab initio kinetics of the C2H2 + NH2 reaction: a revisited study

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (31), p.17232-17239

2019

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Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (42), p.23733-23741

2019

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The role of low-lying conformers and pressure effect in kinetic modeling of hydrogen abstraction of tertiary amyl methyl ether by OH radicals

Fuel (Guildford), 2020-01, Vol.260, p.116313, Article 116313

2020

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Detailed kinetic modeling of thermal decomposition of guaiacol – A model compound for biomass lignin

Biomass & bioenergy, 2018-05, Vol.112, p.45-60

2018

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Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (16), p.99-991

2021

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A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (10), p.7147-7157

2017

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On-the-fly kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by methyl/ethyl radicals

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (36), p.23578-23592

2018

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Ab initio model of choice for kinetics of OH-addition to CF2=CFCl

Chemical physics letters, 2023-10, Vol.829, p.140737, Article 140737

2023

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Ab initio kinetic mechanism of OH-initiated atmospheric oxidation of pyrrole

Chemosphere (Oxford), 2021-01, Vol.263, p.127850, Article 127850

2021

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Kinetics of hydrogen abstraction from CH3SH by OH radicals: An ab initio RRKM-based master equation study

Atmospheric environment (1994), 2020-12, Vol.242, p.117833, Article 117833

2020

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Theoretical kinetics of the C2H4 + NH2 reaction

Combustion and flame, 2020-05, Vol.215, p.193-202

2020

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High-temperature mid-IR absorption spectra and reaction kinetics of 1,3-dioxolane

Proceedings of the Combustion Institute, 2023, Vol.39 (1), p.621-631

2023

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Comment on "Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications" by Safaei et al., Phys. Chem. Chem. Phys., 2019, 21, 8445

Physical chemistry chemical physics : PCCP, 2019-09, Vol.21 (37), p.21162-21165

2019

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Ab-initio studies of thermal unimolecular decomposition of furan: A complementary deterministic and stochastic master equation model

Fuel (Guildford), 2020-03, Vol.264, p.116492, Article 116492

2020

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New Mechanistic Insights into Atmospheric Oxidation of Aniline Initiated by OH Radicals

Environmental science & technology, 2021-06, Vol.55 (12), p.7858-7868

2021

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Atmospheric chemistry of the reaction between propylene carbonate and OH radical: An ab initio RRKM-based master equation study

Chemical physics letters, 2020-01, Vol.739, p.137020, Article 137020

2020

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Reaction kinetics of OH radicals with 1,3,5-trimethyl benzene: An experimental and theoretical study

Proceedings of the Combustion Institute, 2023, Vol.39 (1), p.591-600

2023

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Ab initio kinetics of OH-initiated oxidation of naphthalene: A comprehensive revisited study

Atmospheric environment (1994), 2024-04, Vol.322, p.120342, Article 120342

2024

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Comment on “Atmospheric chemistry of oxazole: the mechanism and kinetic studies on oxidation reaction initiated by OH radicals” by A. Shiroudi, M. A. Abdel-Rahman, A. M. El-Nahas and M. Altarawneh, New J. Chem. , 2021, 45 , 2237

New journal of chemistry, 2021-08, Vol.45 (30), p.13644-13648

2021

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Ab initio kinetics of the CH3NH + NO2 reaction: formation of nitramines and N-alkyl nitroxides

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (46), p.31936-31947

2023

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Kinetic insights into the reaction of hydroxyl radicals with 1,4-pentadiene: A combined experimental and theoretical study

Combustion and flame, 2022-07, Vol.241, p.112153, Article 112153

2022

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A theoretical kinetic study of the reactions of NH2 radicals with methanol and ethanol and their implications in kinetic modeling

International journal of chemical kinetics, 2023-01, Vol.55 (1), p.3-14

2023

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Mechanistic and Kinetic Insights into OH-Initiated Atmospheric Oxidation of Hymexazol: A Computational Study

Environmental science & technology, 2023-10, Vol.57 (40), p.15138-15152

2023

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Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (2), p.1231-1239

2018

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Detailed kinetics of hydrogen abstraction from trans -decalin by OH radicals: the role of hindered internal rotation treatment

Ab initio kinetics of the C2H2 + NH2 reaction: a revisited study

Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study

The role of low-lying conformers and pressure effect in kinetic modeling of hydrogen abstraction of tertiary amyl methyl ether by OH radicals

Detailed kinetic modeling of thermal decomposition of guaiacol – A model compound for biomass lignin

Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model

A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

On-the-fly kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by methyl/ethyl radicals

Ab initio model of choice for kinetics of OH-addition to CF2=CFCl

Ab initio kinetic mechanism of OH-initiated atmospheric oxidation of pyrrole

Kinetics of hydrogen abstraction from CH3SH by OH radicals: An ab initio RRKM-based master equation study

Theoretical kinetics of the C2H4 + NH2 reaction

High-temperature mid-IR absorption spectra and reaction kinetics of 1,3-dioxolane

Comment on "Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications" by Safaei et al., Phys. Chem. Chem. Phys., 2019, 21, 8445

Ab-initio studies of thermal unimolecular decomposition of furan: A complementary deterministic and stochastic master equation model

New Mechanistic Insights into Atmospheric Oxidation of Aniline Initiated by OH Radicals

Atmospheric chemistry of the reaction between propylene carbonate and OH radical: An ab initio RRKM-based master equation study

Reaction kinetics of OH radicals with 1,3,5-trimethyl benzene: An experimental and theoretical study

Ab initio kinetics of OH-initiated oxidation of naphthalene: A comprehensive revisited study

Comment on “Atmospheric chemistry of oxazole: the mechanism and kinetic studies on oxidation reaction initiated by OH radicals” by A. Shiroudi, M. A. Abdel-Rahman, A. M. El-Nahas and M. Altarawneh, New J. Chem. , 2021, 45 , 2237

Ab initio kinetics of the CH3NH + NO2 reaction: formation of nitramines and N-alkyl nitroxides

Kinetic insights into the reaction of hydroxyl radicals with 1,4-pentadiene: A combined experimental and theoretical study

A theoretical kinetic study of the reactions of NH2 radicals with methanol and ethanol and their implications in kinetic modeling

Mechanistic and Kinetic Insights into OH-Initiated Atmospheric Oxidation of Hymexazol: A Computational Study

Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions

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