An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia A Stagni, C Cavallotti, S Arunthanayothin, Y Song, O Herbinet, ... Reaction Chemistry & Engineering 5 (4), 696-711, 2020 | 467 | 2020 |
New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes E Ranzi, C Cavallotti, A Cuoci, A Frassoldati, M Pelucchi, T Faravelli Combustion and flame 162 (5), 1679-1691, 2015 | 351 | 2015 |
Improved Kinetic Model of the Low-Temperature Oxidation of n-Heptane M Pelucchi, M Bissoli, C Cavallotti, A Cuoci, T Faravelli, A Frassoldati, ... Energy & fuels 28 (11), 7178-7193, 2014 | 138 | 2014 |
EStokTP: electronic structure to temperature-and pressure-dependent rate constants—a code for automatically predicting the thermal kinetics of reactions C Cavallotti, M Pelucchi, Y Georgievskii, SJ Klippenstein Journal of chemical theory and computation 15 (2), 1122-1145, 2018 | 130 | 2018 |
Determination of energies and sites of binding of PFOA and PFOS to human serum albumin M Salvalaglio, I Muscionico, C Cavallotti The journal of physical chemistry B 114 (46), 14860-14874, 2010 | 124 | 2010 |
Diffusion and aggregation of sodium fluorescein in aqueous solutions T Casalini, M Salvalaglio, G Perale, M Masi, C Cavallotti The Journal of Physical Chemistry B 115 (44), 12896-12904, 2011 | 120 | 2011 |
Theory, measurements, and modeling of oh and ho 2 formation in the reaction of cyclohexyl radicals with O2 AM Knepp, G Meloni, LE Jusinski, CA Taatjes, C Cavallotti, ... Physical Chemistry Chemical Physics 9 (31), 4315-4331, 2007 | 118 | 2007 |
H-Abstraction reactions by OH, HO 2, O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation M Pelucchi, C Cavallotti, T Faravelli, SJ Klippenstein Physical Chemistry Chemical Physics 20 (16), 10607-10627, 2018 | 116 | 2018 |
An experimental and kinetic modeling study of cyclopentadiene pyrolysis: First growth of polycyclic aromatic hydrocarbons MR Djokic, KM Van Geem, C Cavallotti, A Frassoldati, E Ranzi, GB Marin Combustion and Flame 161 (11), 2739-2751, 2014 | 103 | 2014 |
On the mechanism of decomposition of the benzyl radical C Cavallotti, M Derudi, R Rota Proceedings of the Combustion Institute 32 (1), 115-121, 2009 | 96 | 2009 |
An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion A Bertolino, M Fürst, A Stagni, A Frassoldati, M Pelucchi, C Cavallotti, ... Combustion and Flame 229, 111366, 2021 | 95 | 2021 |
Ab initio evaluation of primary cyclo-hexane oxidation reaction rates C Cavallotti, R Rota, T Faravelli, E Ranzi Proceedings of the Combustion Institute 31 (1), 201-209, 2007 | 94 | 2007 |
On the kinetics of the C5H5+ C5H5 reaction C Cavallotti, D Polino Proceedings of the Combustion Institute 34 (1), 557-564, 2013 | 93 | 2013 |
Reduced order model for the CVD of epitaxial silicon from silane and chlorosilanes G Valente, C Cavallotti, M Masi, S Carrà Journal of Crystal Growth 230 (1-2), 247-257, 2001 | 91 | 2001 |
The peculiar kinetics of the reaction between acetylene and the cyclopentadienyl radical S Fascella, C Cavallotti, R Rota, S Carrà The Journal of Physical Chemistry A 109 (33), 7546-7557, 2005 | 90 | 2005 |
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics M Keçeli, SN Elliott, YP Li, MS Johnson, C Cavallotti, Y Georgievskii, ... Proceedings of the Combustion Institute 37 (1), 363-371, 2019 | 86 | 2019 |
Analysis of some reaction pathways active during cyclopentadiene pyrolysis C Cavallotti, D Polino, A Frassoldati, E Ranzi The Journal of Physical Chemistry A 116 (13), 3313-3324, 2012 | 86 | 2012 |
Detailed kinetics of substituted phenolic species in pyrolysis bio-oils M Pelucchi, C Cavallotti, A Cuoci, T Faravelli, A Frassoldati, E Ranzi Reaction Chemistry & Engineering 4 (3), 490-506, 2019 | 84 | 2019 |
Toluene and benzyl decomposition mechanisms: elementary reactions and kinetic simulations M Derudi, D Polino, C Cavallotti Physical Chemistry Chemical Physics 13 (48), 21308-21318, 2011 | 82 | 2011 |
Experimental and Theoretical Studies on the Dynamics of the O(3P) + Propene Reaction: Primary Products, Branching Ratios, and Role of Intersystem Crossing F Leonori, N Balucani, V Nevrly, A Bergeat, S Falcinelli, G Vanuzzo, ... The Journal of Physical Chemistry C 119 (26), 14632-14652, 2015 | 80 | 2015 |