| Relevance of the P+ O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations JG de la Concepción, C Cavallotti, V Barone, C Puzzarini, ... The Astrophysical Journal 963 (2), 142, 2024 | | 2024 |
| Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations J García de la Concepción, C Cavallotti, V Barone, C Puzzarini, ... The Astrophysical Journal 963 (2), 142, 2024 | | 2024 |
| Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen N Balucani, G Vanuzzo, P Recio, A Caracciolo, M Rosi, C Cavallotti, ... Faraday Discussions, 2024 | | 2024 |
| On the decomposition mechanism of propanal: rate constants evaluation and kinetic simulations A Della Libera, M Di Teodoro, M Pelucchi, C Cavallotti Theoretical Chemistry Accounts 142 (11), 118, 2023 | | 2023 |
| Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation LP Maffei, M Pelucchi, RD Büttgen, KA Heufer, T Faravelli, C Cavallotti Combustion and Flame 257, 112421, 2023 | 7 | 2023 |
| Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps L Crisci, S Di Grande, C Cavallotti, V Barone Journal of Chemical Theory and Computation 19 (21), 7626-7639, 2023 | 1 | 2023 |
| Investigation of methylcyclopentadiene reactivity: Abstraction reactions and methylcyclopentadienyl radical unimolecular decomposition B Hanamirian, A Della Libera, L Pratali Maffei, C Cavallotti The Journal of Physical Chemistry A 127 (5), 1314-1328, 2023 | 4 | 2023 |
| 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 … S Thawoos, GE Hall, C Cavallotti, AG Suits Faraday Discussions 245, 245-260, 2023 | 2 | 2023 |
| H-abstractions by O2, NO2, NH2, and HO2 from H2NO: Theoretical study and implications for ammonia low-temperature kinetics A Stagni, C Cavallotti Proceedings of the Combustion Institute 39 (1), 633-641, 2023 | 19 | 2023 |
| Theoretical kinetics of HO2+ C5H5: A missing piece in cyclopentadienyl radical oxidation reactions LP Maffei, M Pelucchi, T Faravelli, C Cavallotti Proceedings of the Combustion Institute 39 (1), 695-703, 2023 | 4 | 2023 |
| Automation of chemical kinetics: status and challenges C Cavallotti Proceedings of the Combustion Institute 39 (1), 11-28, 2023 | 14 | 2023 |
| Intersystem crossing in the entrance channel of the reaction of O(3P) with pyridine P Recio, S Alessandrini, G Vanuzzo, G Pannacci, A Baggioli, ... Nature Chemistry 14 (12), 1405-1412, 2022 | 17 | 2022 |
| 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 … A Nobili, A Cuoci, W Pejpichestakul, M Pelucchi, C Cavallotti, T Faravelli Combustion and Flame 243, 112073, 2022 | 27 | 2022 |
| Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part II. Soot oxidation in flow reactors and laminar flames A Nobili, W Pejpichestakul, M Pelucchi, A Cuoci, C Cavallotti, T Faravelli Combustion and Flame 243, 112072, 2022 | 11 | 2022 |
| Formation Routes of CO from O(1D)+Toluene: A Computational Study M Rosi, P Casavecchia, N Balucani, P Recio, A Caracciolo, D Skouteris, ... International Conference on Computational Science and Its Applications, 260-269, 2022 | | 2022 |
| Dr Upakarasamy Lourderaj, NISER, India MK Ackermann, MJ Aerssens, D Babikov, MB Ballotta, A Bodi, M Burke, ... Faraday Discuss 238, 770-771, 2022 | | 2022 |
| The reaction step: general discussion MP Burke, P Casavecchia, C Cavallotti, DC Clary, A Doner, WH Green, ... Faraday Discussions 238, 320-354, 2022 | 1 | 2022 |
| The master equation: general discussion J Aerssens, MP Burke, C Cavallotti, NJB Green, WH Green, H Guo, ... Faraday Discussions 238, 529-574, 2022 | | 2022 |
| Crossed-beam and theoretical studies of multichannel nonadiabatic reactions: branching fractions and role of intersystem crossing for O (3 P)+ 1, 3-butadiene C Cavallotti, A Della Libera, CW Zhou, P Recio, A Caracciolo, N Balucani, ... Faraday Discussions 238, 161-182, 2022 | 11 | 2022 |
| On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation A Nobili, LP Maffei, A Baggioli, M Pelucchi, A Cuoci, C Cavallotti, ... Combustion and Flame 235, 111692, 2022 | 35 | 2022 |
