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Mostrati risultati da 1 a 20 di 177
Titolo Data di pubblicazione Autori File
H-abstractions by O2, NO2, NH2, and HO2 from H2NO: Theoretical study and implications for ammonia low-temperature kinetics 1-gen-2022 Stagni A.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 1-gen-2022 Nobili A.Cuoci A.Pejpichestakul W.Pelucchi M.Cavallotti C.Faravelli T.
Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part II. Soot oxidation in flow reactors and laminar flames 1-gen-2022 Andrea NobiliWarumporn PejpichestakulMatteo PelucchiAlberto CuociCarlo CavallottiTiziano Faravelli
On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation 1-gen-2022 Nobili A.Pratali Maffei L.Baggioli A.Pelucchi M.Cuoci A.Cavallotti C.Faravelli T.
Crossed-Beam and Theoretical Studies of the O(3P,1D) + Benzene Reactions: Primary Products, Branching Fractions, and Role of Intersystem Crossing 1-gen-2021 de Falco C.Baggioli A.Cavallotti C. +
An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion 1-gen-2021 Bertolino A.Stagni A.Frassoldati A.Pelucchi M.Cavallotti C.Faravelli T. +
A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene 1-gen-2021 Cavallotti C. +
Theoretical and kinetic modeling study of chloromethane (CH3Cl) pyrolysis and oxidation 1-gen-2021 Pelucchi M.Cavallotti C.Frassoldati A.Ranzi E.Faravelli T. +
Master equation lumping for multi-well potential energy surfaces: A bridge between ab initio based rate constant calculations and large kinetic mechanisms 1-gen-2021 Pratali Maffei L.Pelucchi M.Cavallotti C.Bertolino A.Faravelli T.
Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis 1-gen-2021 Cavallotti C. +
Theoretical kinetics analysis for ȮH radical addition to 1,3-butadiene and application to model prediction 1-gen-2020 Cavallotti, Carlo +
Theoretical study of sensitive reactions in phenol decomposition 1-gen-2020 Pratali Maffei L.Pelucchi M.Faravelli T.Cavallotti C.
Electronic structure-based rate rules for H: ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5substituents: a systematic theoretical investigation 1-gen-2020 Pratali Maffei L.Faravelli T.Cavallotti C.Pelucchi M.
A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study 1-gen-2020 Cavallotti, Carlo +
An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia 1-gen-2020 Stagni A.Cavallotti C.Faravelli T. +
Theoretical Study of the Extent of Intersystem Crossing in the O(3P) + C6H6 Reaction with Experimental Validation 1-gen-2020 Cavallotti, CarloDe Falco, CarloPratali Maffei, Luna +
State-of-the-Art Quantum Chemistry Meets Variable Reaction Coordinate Transition State Theory to Solve the Puzzling Case of the H2S + Cl System 1-gen-2020 Cavallotti, Carlo +
Theoretical and kinetic modelling study of the oxidation of oxygenated aromatic hydrocarbons: reaction classes and rate rules 1-gen-2019 L. Pratali MaffeiW. PejpichestakulM. PelucchiC. CavallottiA. FrassoldatiT. Faravelli +
Theoretical and kinetic modelling study of phenol and phenoxy radical decomposition to CO and C5H6/C5H5 in pyrolysis conditions 1-gen-2019 Luna Pratali MaffeiMatteo PelucchiTiziano FaravelliCarlo Cavallotti
Ab initio kinetics for pyrolysis and combustion systems 1-gen-2019 Cavallotti C. +
Mostrati risultati da 1 a 20 di 177
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