John M. Simmie - Publications, H-index & Citations

John M. Simmie

ollscoil na gaillimhe-university of galway

53H指数

205论文数

9.6K被引数

收录论文 37

发表时间

Tautomerization Kinetics of Thiouracils at Low Temperatures Driven Solely by Quantum-Mechanical Tunnelling: Predictions of Suitable Candidates for Future Experiments 低温下硫尿嘧啶的互变异构动力学：仅由量子力学隧穿驱动的未来实验合适候选物的预测

International Journal of Chemical Kinetics

IF1.6

2026-03-01

PREAI

Wurmel, Judith; Simmie, John M.

Application of Sublimation in the Synthesis and Crystal Growth of Organosulfones

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2024-05-17

OAAI

Refat, Lamis Alaa Eldin; Karpinska, Jolanta; Konda, Saidulu; Simmie, John M.; Murphy, Paul V.; Mcardle, Patrick; Erxleben, Andrea

Differences in Coformer Interactions of the 2,4-Diaminopyrimidines Pyrimethamine and Trimethoprim

CRYSTAL GROWTH & DESIGN

IF3.4

2022-04-08

OAAI

Refat, Lamis Alaa Eldin; O'Malley, Ciaran; Simmie, John M.; McArdle, Patrick; Erxleben, Andrea

Crystallization of Organic Salts from the Gas Phase: When Does Proton Transfer Take Place?

CRYSTAL GROWTH & DESIGN

IF3.4

2020-12-14

OAAI

O'Malley, Ciaran; Erxleben, Andrea; McArdle, Patrick; Simmie, John M.

An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, CxHyOz (x, y=1, 2; z=1-8), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

IF3.2

2020-05-28

OAAI

Simmie, John M.; Wurmel, Judith

An experimental and kinetic modeling study of γ-valerolactone pyrolysis

COMBUSTION AND FLAME

IF6.2

2016-02-01

PREAI

De Bruycker, Ruben; Carstensen, Hans-Heinrich; Reyniers, Marie-Francoise; Marin, Guy B.; Simmie, John M.; Van Geem, Kevin M.

Critical Evaluation of Thermochemical Properties of C1-C4 Species: Updated Group-Contributions to Estimate Thermochemical Properties

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

IF3.2

2015-01-05

OAAI

Burke, S. M.; Simmie, J. M.; Curran, H. J.

A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation

COMBUSTION AND FLAME

IF6.2

2013-11-01

151

OAAI

Somers, Kieran P.; Simmie, John M.; Gillespie, Fiona; Conroy, Christine; Black, Grainne; Metcalfe, Wayne K.; Battin-Leclerc, Frederique; Dirrenberger, Patricia; Herbinet, Olivier; Glaude, Pierre-Alexandre; Dagaut, Philippe; Togbe, Casimir; Yasunaga, Kenji; Fernandes, Ravi X.; Lee, Changyoul; Tripathi, Rupali; Curran, Henry J.

Harmonising Production, Properties and Environmental Consequences of Liquid Transport Fuels from Biomass2,5-Dimethylfuran as a Case Study

CHEMSUSCHEM

IF6.6

2012-12-17

PREAI

Simmie, John M.; Wuermel, Judith

A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

COMBUSTION AND FLAME

IF6.2

2012-07-01

PREAI

Darcy, Daniel; Tobin, Colin J.; Yasunaga, Kenji; Simmie, John M.; Wuermel, Judith; Metcalfe, Wayne K.; Niass, Tidjani; Ahmed, Syed S.; Westbrook, Charles K.; Curran, Henry J.

A shock tube and chemical kinetic modeling study of the pyrolysis and oxidation of butanols

COMBUSTION AND FLAME

IF6.2

2012-06-01

PREAI

Yasunaga, Kenji; Mikajiri, Takahiro; Sarathy, S. Mani; Koike, Tohru; Gillespie, Fiona; Nagy, Tibor; Simmie, John M.; Curran, Henry J.

Experimental and modeling study of the oxidation of n-butylbenzene

COMBUSTION AND FLAME

IF6.2

2012-04-01

OAAI

Husson, B.; Bounaceur, R.; Tanaka, K.; Ferrari, M.; Herbinet, O.; Glaude, P. A.; Fournet, R.; Battin-Leclerc, F.; Crochet, M.; Vanhove, G.; Minetti, R.; Tobin, C. J.; Yasunaga, K.; Simmie, J. M.; Curran, H. J.; Niass, T.; Mathieu, O.; Ahmed, S. S.

Reduction of a detailed kinetic model for the ignition of methane/propane mixtures at gas turbine conditions using simulation error minimization methods

COMBUSTION AND FLAME

IF6.2

2011-08-01

PREAI

Zsely, I. Gy; Nagy, T.; Simmie, J. M.; Curran, H. J.

Detailed chemical kinetic mechanisms of ethyl methyl, methyl tert-butyl and ethyl tert-butyl ethers: The importance of uni-molecular elimination reactions 乙基甲基，甲基叔丁基和乙基叔丁基醚的详细化学动力学机理: 单分子消除反应的重要性

COMBUSTION AND FLAME

IF6.2

2011-06-01

PREAI

Yasunaga, K.; Simmie, J. M.; Curran, H. J.; Koike, T.; Takahashi, O.; Kuraguchi, Y.; Hidaka, Y.