Assessing the Molecular Basis of the Fuel Octane Scale: A Detailed Investigation on the Rate Controlling Steps of the Autoignition of Heptane and Isooctane
Monteiro, João G. S, Barbosa, André G. H, Henriques, André M, Neves, Pedro H. G, Furtado, Roberto S, Menezes, Rodrigo M, dos Santos, Anderson R, Fleming, Felipe P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.01.2018)
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The multiconfiguration Spin-Coupled approach for the description of the three-center two-electron chemical bond of some carbenium and nonclassical ions
Barbosa, André G. H., Henriques, André M., Monteiro, João G. S., Fleming, Felipe P., Esteves, Pierre M.
Published in Theoretical chemistry accounts (01.02.2018)
Published in Theoretical chemistry accounts (01.02.2018)
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Temperature and pressure dependent rate constants of the reactions of OH• with cyclopentene from variational TST and SS-QRRK methods
Monteiro, João G S, Neves, Douglas C G, Ventura, Arthur C P G, Lindgren, Eric B, Oliveira, Gustavo N, Fleming, Felipe P, Dos Santos, Anderson R, Barbosa, André G H
Published in The Journal of chemical physics (07.12.2022)
Published in The Journal of chemical physics (07.12.2022)
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