James A. Miller, Raghu Sivaramakrishnan, Yujie Tao, C. Franklin Goldsmith, Michael P. Burke, Ahren W. Jasper, Nils Hansen, Nicole J. Labbe, Peter Glarborg and Judit Zádor

Progress in Energy and Combustion Science, 2021, 83, 100886
DOI: 10.1016/j.pecs.2020.100886

Reaction between N2O5 and NH3 under Tropospheric Conditions: A Quantum Chemical and Chemical Kinetic Investigation

Saptarshi Sarkar and Biman Bandyopadhyay

J. Phys. Chem. A, 2020, 124, 3564
DOI: 10.1021/acs.jpca.0c00580

Kinetics and Product Branching Ratios of the Reaction of 1CH2 with H2 and D2

K. L. Gannon, M. A. Blitz, M. J. Pilling, P. W. Seakins, S. J. Klippenstein and L. B. Harding

J. Phys. Chem. A, 2008, 112, 9575
DOI: 10.1021/jp803038s

Kinetics of Thermal Unimolecular Decomposition of Acetic Anhydride: An Integrated Deterministic and Stochastic Model

Tam V.-T. Mai, Minh v. Duong, Hieu T. Nguyen, Kuang C. Lin and Lam K. Huynh

J. Phys. Chem. A, 2017, 121, 3028
DOI: 10.1021/acs.jpca.7b00015

Calculation of the rate constants for hydrogen abstraction reactions by Hydroperoxyl radical from Methanol, and the investigation of stability of CH3OH.HO2 complex

Ahmad Seif, Luis R. Domingo and Temer S. Ahmadi

Computational and Theoretical Chemistry, 2020, 1190, 113010
DOI: 10.1016/j.comptc.2020.113010

Silicon chemistry in the mesosphere and lower thermosphere

John M. C. Plane, Juan Carlos Gómez‐Martín, Wuhu Feng and Diego Janches

JGR Atmospheres, 2016, 121, 3718
DOI: 10.1002/2015JD024691

Thermal Decomposition of 3-Bromopropene. A Theoretical Kinetic Investigation

María E. Tucceri, María P. Badenes, Larisa L. B. Bracco and Carlos J. Cobos

J. Phys. Chem. A, 2016, 120, 2285
DOI: 10.1021/acs.jpca.5b12581

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

Tam V.-T. Mai, Hieu T. Nguyen and Lam K. Huynh

Atmospheric Environment, 2020, 242, 117833
DOI: 10.1016/j.atmosenv.2020.117833

Evidence of Formation of Bicyclic Species in the Early Stages of Atmospheric Benzene Oxidation

David R. Glowacki, Liming Wang and Michael J. Pilling

J. Phys. Chem. A, 2009, 113, 5385
DOI: 10.1021/jp9001466

Mechanistic and kinetic investigations on the ozonolysis of isopropenyl acetate and propenyl acetate in atmosphere

Mingyue Li, Jing Li, Haijie Cao, Dandan Han and Maoxia He

Computational and Theoretical Chemistry, 2014, 1049, 42
DOI: 10.1016/j.comptc.2014.09.003

Comment on “When Rate Constants Are Not Enough”

James A. Miller, Stephen J. Klippenstein, Struan H. Robertson, Michael J. Pilling, Robin Shannon, Judit Zádor, Ahren W. Jasper, C. Franklin Goldsmith and Michael P. Burke

J. Phys. Chem. A, 2016, 120, 306
DOI: 10.1021/acs.jpca.5b06025

Reactions over Multiple, Interconnected Potential Wells: Unimolecular and Bimolecular Reactions on a C3H5Potential

James A. Miller, Juan P. Senosiain, Stephen J. Klippenstein and Yuri Georgievskii

J. Phys. Chem. A, 2008, 112, 9429
DOI: 10.1021/jp804510k

An Experimental and Theoretical Study of the Reaction Between NH(X3Σ−) + SO(X3Σ−)

Mark A. Blitz, Robin J. Shannon, Paul Marshall and Michael J. Pilling

Zeitschrift für Physikalische Chemie, 2010, 224, 1009
DOI: 10.1524/zpch.2010.6138

Thermal decomposition of 1-pentyl radicals at high pressures and temperatures

Andrea Comandini, Iftikhar A. Awan and Jeffrey A. Manion

Chemical Physics Letters, 2012, 552, 20
DOI: 10.1016/j.cplett.2012.09.039

Kinetic study of the OH + ethylene reaction using frequency‐modulated laser absorption spectroscopy

James P. A. Lockhart, Eisen C. Gross, Trevor J. Sears and Gregory E. Hall

Int J of Chemical Kinetics, 2019, 51, 412
DOI: 10.1002/kin.21265

Detailed kinetic mechanism of thermal decomposition of furyl radicals: Theoretical insights

Thi D.-T. Nguyen, Nhung Pham, Tam V.-T. Mai, Hoang Minh Nguyen and Lam K. Huynh

Fuel, 2021, 288, 119699
DOI: 10.1016/j.fuel.2020.119699

Multiple evaluations of atmospheric behavior between Criegee intermediates and HCHO: Gas-phase and air-water interface reaction

Tianlei Zhang, Mingjie Wen, Chao Ding, Yongqi Zhang, Xiaohui Ma, Zhuqing Wang, Makroni Lily, Junhai Liu and Rui Wang

Journal of Environmental Sciences, 2023, 127, 308
DOI: 10.1016/j.jes.2022.06.004

Oxidation of Dipropyl Thiosulfinate Initiated by Cl Radicals in the Gas Phase: Implications for Atmospheric Chemistry

Parandaman Arathala and Rabi A. Musah

ACS Earth Space Chem., 2021, 5, 2878
DOI: 10.1021/acsearthspacechem.1c00246

Thermal decomposition and isomerization of 1-Butyl and 1-Pentyl radical by flash pyrolysis vacuum ultraviolet photoionization time-of-flight mass spectrometry

Jessy M. Lemieux and Jingsong Zhang

Eur J Mass Spectrom (Chichester), 2024, 30, 161
DOI: 10.1177/14690667241255767

A General User-Friendly Tool for Kinetic Calculations of Multi-Step Reactions within the Virtual Multifrequency Spectrometer Project

Surajit Nandi, Bernardo Ballotta, Sergio Rampino and Vincenzo Barone

Applied Sciences, 2020, 10, 1872
DOI: 10.3390/app10051872

Rate Constants and Energetics of the H2SiO + H Reaction System: RP‐VTST/MT and VRC Calculations

Marcelo André Petry Pontes, Edson Firmino Viana de Carvalho, Luiz Fernando de Araujo Ferrão, Francisco Bolivar Correto Machado and Orlando Roberto‐Neto

J Comput Chem, 2025, 46
DOI: 10.1002/jcc.70115

From elementary reactions to evaluated chemical mechanisms for combustion models

Michael J. Pilling

Proceedings of the Combustion Institute, 2009, 32, 27
DOI: 10.1016/j.proci.2008.08.003

Reanalysis of Rate Data for the Reaction CH3 + CH3 → C2H6 Using Revised Cross Sections and a Linearized Second-Order Master Equation

M. A. Blitz, N. J. B. Green, R. J. Shannon, M. J. Pilling, P. W. Seakins, C. M. Western and S. H. Robertson

J. Phys. Chem. A, 2015, 119, 7668
DOI: 10.1021/acs.jpca.5b01002

Kinetics of elementary reactions in low-temperature autoignition chemistry

Judit Zádor, Craig A. Taatjes and Ravi X. Fernandes

Progress in Energy and Combustion Science, 2011, 37, 371
DOI: 10.1016/j.pecs.2010.06.006

MESMER: An Open-Source Master Equation Solver for Multi-Energy Well Reactions

David R. Glowacki, Chi-Hsiu Liang, Christopher Morley, Michael J. Pilling and Struan H. Robertson

J. Phys. Chem. A, 2012, 116, 9545
DOI: 10.1021/jp3051033

A single‐ and multireference study on CH (X2Π) reaction with O2 ()

Fatemeh Keshavarz and S. Hosein Mousavipour

Int J of Chemical Kinetics, 2019, 51, 161
DOI: 10.1002/kin.21240

Two-Dimensional Master Equation Modeling of Some Multichannel Unimolecular Reactions

Akira Matsugi

J. Phys. Chem. A, 2021, 125, 2532
DOI: 10.1021/acs.jpca.1c00666

Chemical kinetics of cyclic ethers in combustion

Luc-Sy Tran, Olivier Herbinet, Hans-Heinrich Carstensen and Frédérique Battin-Leclerc

Progress in Energy and Combustion Science, 2022, 92, 101019
DOI: 10.1016/j.pecs.2022.101019

Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications

Luc Vereecken, David R. Glowacki and Michael J. Pilling

Chem. Rev., 2015, 115, 4063
DOI: 10.1021/cr500488p

A never-ending story in the sky: The secrets of chemical evolution

Cristina Puzzarini and Vincenzo Barone

Physics of Life Reviews, 2020, 32, 59
DOI: 10.1016/j.plrev.2019.07.001

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

Yuri Georgievskii, James A. Miller, Michael P. Burke and Stephen J. Klippenstein

J. Phys. Chem. A, 2013, 117, 12146
DOI: 10.1021/jp4060704

Three-Dimensional Master Equation (3DME) Approach

Thanh Lam Nguyen and John F. Stanton

J. Phys. Chem. A, 2018, 122, 7757
DOI: 10.1021/acs.jpca.8b06593

Quantum Chemical Investigation on the Mechanism and Kinetics of PBDE Photooxidation by ·OH: A Case Study for BDE-15

Jing Zhou, Jingwen Chen, Chi-Hsiu Liang, Qing Xie, Ya-Nan Wang, Siyu Zhang, Xianliang Qiao and Xuehua Li

Environ. Sci. Technol., 2011, 45, 4839
DOI: 10.1021/es200087w

TUMME: Tsinghua University Minnesota Master Equation program

Rui Ming Zhang, Xuefei Xu and Donald G. Truhlar

Computer Physics Communications, 2022, 270, 108140
DOI: 10.1016/j.cpc.2021.108140

Computational study on the mechanism and kinetics of Cl-initiated oxidation of vinyl acetate

Jing Li, Haijie Cao, Dandan Han, Mingyue Li, Xin Li, Maoxia He and Shuping Ma

Atmospheric Environment, 2014, 94, 63
DOI: 10.1016/j.atmosenv.2014.05.017

Theoretical Studies of the Gas-Phase Reactions of S-Methyl Methanesulfinothioate (Dimethyl Thiosulfinate) with OH and Cl Radicals: Reaction Mechanisms, Energetics, and Kinetics

Parandaman Arathala and Rabi A. Musah

J. Phys. Chem. A, 2019, 123, 8448
DOI: 10.1021/acs.jpca.9b02435

The effect of carbon-chain oxygenation in the carbon-carbon dissociation

Lisandra Paulino dos Santos and Leonardo Baptista

J Mol Model, 2018, 24
DOI: 10.1007/s00894-018-3693-9

Multistructural torsional anharmonicity and pressure-dependent kinetic studies on methanol/ethanol reaction with amino radical: Implication for combustion modeling

Jibiao Xie and Jinou Song

Combustion and Flame, 2023, 254, 112845
DOI: 10.1016/j.combustflame.2023.112845

Quasi‐Spectral Method for the Solution of the Master Equation for Unimolecular Reaction Systems

Andrey Koksharov, Chunkan Yu, Viatcheslav Bykov, Ulrich Maas, Mark Pfeifle and Matthias Olzmann

Int J of Chemical Kinetics, 2018, 50, 357
DOI: 10.1002/kin.21165

Computational and Experimental Investigation of the Detection of HO2 Radical and the Products of Its Reaction with Cyclohexene Ozonolysis Derived RO2 Radicals by an Iodide-Based Chemical Ionization Mass Spectrometer

Siddharth Iyer, Xucheng He, Noora Hyttinen, Theo Kurtén and Matti P. Rissanen

J. Phys. Chem. A, 2017, 121, 6778
DOI: 10.1021/acs.jpca.7b01588

Reactions of Hydrocarbon Radicals and Biradicals

Michael J. Pilling

J. Phys. Chem. A, 2013, 117, 3697
DOI: 10.1021/jp402178c

Theoretical kinetics of the C2H4 + NH2 reaction

Tam V.-T. Mai, Minh v. Duong and Lam K. Huynh

Combustion and Flame, 2020, 215, 193
DOI: 10.1016/j.combustflame.2019.12.007