Sfoglia per Autore
Hydrogen combustion: mixture rules and rate constants. A case study on the multicomponent pressure dependence of H+O 2 +M=HO 2 +M
2024-01-01 Primi, M.; Dinelli, T.; Lea Casagrande, M.; Pratali Maffei, L.; Cuoci, A.; Pelucchi, M.; Cavallotti, C.
Theoretical and kinetic study of the thermal decomposition mechanism of long chain aldehydes
2024-01-01 Di Teodoro, Maristella; Pelucchi, Matteo; Cavallotti, Carlo
Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen
2024-01-01 Balucani, Nadia; Vanuzzo, Gianmarco; Recio, Pedro; Caracciolo, Adriana; Rosi, Marzio; Cavallotti, Carlo; Baggioli, Alberto; Della Libera, Andrea; Casavecchia, Piergiorgio
Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations
2024-01-01 García de la Concepción, Juan; Cavallotti, Carlo; Barone, Vincenzo; Puzzarini, Cristina; Jiménez-Serra, Izaskun
Theoretical and kinetic analysis of anisole and cresol primary reactivity in pyrolysis and combustion
2024-01-01 Pratali Maffei, Luna; Della Libera, Andrea; Faravelli, Tiziano; Cavallotti, Carlo
Fulvenallenyl Radical (C7H5·)-Mediated Gas-Phase Synthesis of Bicyclic Aromatic C10H8 Isomers: Can Fulvenallenyl Efficiently React with Closed-Shell Hydrocarbons?
2024-01-01 Mebel, Alexander M.; Li, Wang; Pratali Maffei, Luna; Cavallotti, Carlo; Morozov, Alexander N.; Wang, Chang-Yang; Yang, Jiu-Zhong; Zhao, Long; Kaiser, Ralf I.
Mechanism and kinetics of the oxidation of propargyl radical by atomic oxygen
2024-01-01 Alarcon, Juan F.; Morozov, Alexander N.; Mebel, Alexander M.; Della Libera, Andrea; Pratali Maffei, Luna; Cavallotti, Carlo
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
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
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
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.
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.
Automation of chemical kinetics: Status and challenges
2022-01-01 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.
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
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.
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.
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
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