Sfoglia per Autore
H-abstractions by O2, NO2, NH2, and HO2 from H2NO: Theoretical study and implications for ammonia low-temperature kinetics
2023-01-01 Stagni, A.; Cavallotti, C.
On the decomposition mechanism of propanal: rate constants evaluation and kinetic simulations
2023-01-01 Della Libera, Andrea; Di Teodoro, Maristella; Pelucchi, Matteo; Cavallotti, Carlo
Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps
2023-01-01 Crisci, Luigi; Di Grande, Silvia; Cavallotti, Carlo; Barone, Vincenzo
Kinetics of CN (v = 1) reactions with butadiene isomers at low temperature by cw-cavity ring-down in a pulsed Laval flow with theoretical modelling of rates and entrance channel branching
2023-01-01 Thawoos, Shameemah; Hall, Gregory E.; Cavallotti, Carlo; Suits, Arthur G.
Investigation of Methylcyclopentadiene Reactivity: Abstraction Reactions and Methylcyclopentadienyl Radical Unimolecular Decomposition
2023-01-01 Hanamirian, Burak; Della Libera, Andrea; Pratali Maffei, Luna; Cavallotti, Carlo
Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine
2022-01-01 Recio, Pedro; Alessandrini, Silvia; Vanuzzo, Gianmarco; Pannacci, Giacomo; Baggioli, Alberto; Marchione, Demian; Caracciolo, Adriana; Murray, Vanessa J; Casavecchia, Piergiorgio; Balucani, Nadia; Cavallotti, Carlo; Puzzarini, Cristina; Barone, Vincenzo
Formation Routes of CO from O(1D)+Toluene: A Computational Study
2022-01-01 Rosi, M.; Casavecchia, P.; Balucani, N.; Recio, P.; Caracciolo, A.; Skouteris, D.; Cavallotti, C.
Crossed-beam and theoretical studies of multichannel nonadiabatic reactions: branching fractions and role of intersystem crossing for O(3P) + 1,3-butadiene
2022-01-01 Cavallotti, C; Della Libera, A; Zhou, C-W; Recio, P; Caracciolo, A; Balucani, N; Casavecchia, P
Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part II. Soot oxidation in flow reactors and laminar flames
2022-01-01 Nobili, Andrea; Pejpichestakul, Warumporn; Pelucchi, Matteo; Cuoci, Alberto; Cavallotti, CARLO ALESSANDRO; Faravelli, Tiziano
Automation of chemical kinetics: Status and challenges
2022-01-01 Cavallotti, C.
On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation
2022-01-01 Nobili, A.; Pratali Maffei, L.; Baggioli, A.; Pelucchi, M.; Cuoci, A.; Cavallotti, C.; Faravelli, T.
Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation
2022-01-01 Pratali Maffei, L.; Pelucchi, M.; Buttgen, R. D.; Heufer, K. A.; Faravelli, T.; Cavallotti, C.
Theoretical kinetics of HO2 + C5H5: A missing piece in cyclopentadienyl radical oxidation reactions
2022-01-01 Pratali Maffei, L.; Pelucchi, M.; Faravelli, T.; Cavallotti, C.
Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part I. Soot formation in ethylene laminar premixed and counterflow diffusion flames
2022-01-01 Nobili, A.; Cuoci, A.; Pejpichestakul, W.; Pelucchi, M.; Cavallotti, C.; Faravelli, T.
Theoretical and kinetic modeling study of chloromethane (CH3Cl) pyrolysis and oxidation
2021-01-01 Pelucchi, M.; Cavallotti, C.; Frassoldati, A.; Ranzi, E.; Glarborg, P.; Faravelli, T.
Crossed-Beam and Theoretical Studies of the O(3P,1D) + Benzene Reactions: Primary Products, Branching Fractions, and Role of Intersystem Crossing
2021-01-01 Vanuzzo, G.; Caracciolo, A.; Minton, T. K.; Balucani, N.; Casavecchia, P.; de Falco, C.; Baggioli, A.; Cavallotti, C.
Master equation lumping for multi-well potential energy surfaces: A bridge between ab initio based rate constant calculations and large kinetic mechanisms
2021-01-01 Pratali Maffei, L.; Pelucchi, M.; Cavallotti, C.; Bertolino, A.; Faravelli, T.
An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion
2021-01-01 Bertolino, A.; Furst, M.; Stagni, A.; Frassoldati, A.; Pelucchi, M.; Cavallotti, C.; Faravelli, T.; Parente, A.
Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis
2021-01-01 Elliott, S. N.; Moore, K. B.; Copan, A. V.; Keceli, M.; Cavallotti, C.; Georgievskii, Y.; Schaefer, H. F.; Klippenstein, S. J.
A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene
2021-01-01 Rosi, M.; Falcinelli, S.; Casavecchia, P.; Balucani, N.; Recio, P.; Caracciolo, A.; Vanuzzo, G.; Skouteris, D.; Cavallotti, C.
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