Detailed chemical kinetic models for the combustion of hydrocarbon fuels von Simmie, John M.

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Ab Initio Study of the Decomposition of 2,5-Dimethylfuran von Simmie, John M, Metcalfe, Wayne K

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A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation von Somers, Kieran P., Simmie, John M., Gillespie, Fiona, Conroy, Christine, Black, Gráinne, Metcalfe, Wayne K., Battin-Leclerc, Frédérique, Dirrenberger, Patricia, Herbinet, Olivier, Glaude, Pierre-Alexandre, Dagaut, Philippe, Togbé, Casimir, Yasunaga, Kenji, Fernandes, Ravi X., Lee, Changyoul, Tripathi, Rupali, Curran, Henry J.

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C2H5NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond von Simmie, John M

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C 2 H 5 NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond von Simmie, John M

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Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: A Litmus Test for Cost-Effective Molecular Formation Enthalpies von Simmie, John M, Somers, Kieran P

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A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4) von Simmie, John M

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Chemical Bond Energies of Organic Peroxides: From CH 3 OOCH 3 to High-Molecular-Weight Industrially Significant Compounds von Würmel, Judith, Simmie, John M

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Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals von Somers, Kieran P, Simmie, John M

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Kinetics and Thermochemistry of 2,5-Dimethyltetrahydrofuran and Related Oxolanes: Next Next-Generation Biofuels von Simmie, John M

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Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels:  Ethyl Propanoate and Methyl Butanoate von El-Nahas, Ahmed M, Navarro, Maria V, Simmie, John M, Bozzelli, Joseph W, Curran, Henry J, Dooley, Stephen, Metcalfe, Wayne

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Kinetics of direct and water‐mediated tautomerization reactions of four‐membered cyclic lactims to amides or lactams von Würmel, Judith, Simmie, John M.

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Kinetics of direct and water‐mediated tautomerization reactions of five‐membered cyclic amides or lactams von Würmel, Judith, Simmie, John M.

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Kinetics of direct and water‐mediated tautomerization reactions of nucleobases at low temperatures ⩽200 K von Würmel, Judith, Simmie, John M.

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Substituent effects in the tautomerization of imidic acids R−C(OH)=NH → R−C(O)NH2: Kinetic implications for the formation of peptide bonds in the interstellar medium von Würmel, Judith, Simmie, John M.

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Chemical Bond Energies of Organic Peroxides: From CH3OOCH3 to High-Molecular-Weight Industrially Significant Compounds von Würmel, Judith, Simmie, John M.

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Kinetics of the tautomerization of thioimidic acids R−C(SH)NH → R−C(S)NH2: For R = H, F, HO, CN, NC, H2N, HC(O), HC(S), HC≡ C, CH3, CF3, H2C=CH, HOCH2, H2NCH2,CH3C(O), C2H5, (CH3)2... von Würmel, Judith, Simmie, John M

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Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains von Kerkeni, Boutheïna, Simmie, John M.

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Abstraction and addition reactions of four γ‐lactones with H‐atoms and methyl radicals von Würmel, Judith, Simmie, John M.

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The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study von Silke, Emma J., Curran, Henry J., Simmie, John M.

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