オープン アクセスを義務付けられた論文 - carlo cavallotti詳細
一般には非公開: 17 件
Ab initio kinetics for pyrolysis and combustion systems
SJ Klippenstein, C Cavallotti
Computer Aided Chemical Engineering 45, 115-167, 2019
委任: US Department of Energy
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
委任: Government of Italy
Reaction Dynamics of O(3P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential …
I Gimondi, C Cavallotti, G Vanuzzo, N Balucani, P Casavecchia
The Journal of Physical Chemistry A 120 (27), 4619-4633, 2016
委任: Government of Italy
Combined Experimental and Theoretical Studies of the O(3P) + 1-Butene Reaction Dynamics: Primary Products, Branching Fractions, and Role of Intersystem …
A Caracciolo, G Vanuzzo, N Balucani, D Stranges, P Casavecchia, ...
The Journal of Physical Chemistry A 123 (46), 9934-9956, 2019
委任: European Commission, Government of Italy
Reaction Dynamics of O(3P) + Propyne: I. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Crossed Molecular Beam Experiments
G Vanuzzo, N Balucani, F Leonori, D Stranges, V Nevrly, S Falcinelli, ...
The Journal of Physical Chemistry A 120 (27), 4603-4618, 2016
委任: European Commission, Government of Italy
Isomer-Specific Chemistry in the Propyne and Allene Reactions with Oxygen Atoms: CH3CH + CO versus CH2CH2 + CO Products
G Vanuzzo, N Balucani, F Leonori, D Stranges, S Falcinelli, A Bergeat, ...
The journal of physical chemistry letters 7 (6), 1010-1015, 2016
委任: Government of Italy
Oxoanion binding by guanidiniocarbonylpyrrole cations in water: A combined DFT and MD investigation
D Moiani, C Cavallotti, A Famulari, C Schmuck
Chemistry–A European Journal 14 (17), 5207-5219, 2008
委任: German Research Foundation
Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)
Y Gao, M Takahashi, C Cavallotti, G Raos
Journal of Nuclear Materials 501, 253-260, 2018
委任: Government of Italy
Molecular insight into protein binding orientations and interaction modes on hydrophobic charge-induction resin
HF Tong, C Cavallotti, SJ Yao, DQ Lin
Journal of Chromatography A 1512, 34-42, 2017
委任: National Natural Science Foundation of China
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
委任: Government of Italy
Theoretical kinetics analysis for ȮH radical addition to 1, 3-butadiene and application to model prediction
J Bai, C Cavallotti, CW Zhou
Combustion and Flame 221, 228-240, 2020
委任: National Natural Science Foundation of China
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
委任: German Research Foundation
Rate rules for the reactions of oxygen atoms with terminal alkenes
LP Maffei, C Cavallotti, A Caracciolo, N Balucani, P Casavecchia
Fuel 263, 116536, 2020
委任: European Commission, Government of Italy
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
委任: Government of Italy
A computational study on the attack of nitrogen and oxygen atoms to toluene
M Rosi, S Falcinelli, P Casavecchia, N Balucani, P Recio, A Caracciolo, ...
Computational Science and Its Applications–ICCSA 2021: 21st International …, 2021
委任: Government of Italy
Mechanism and kinetics of the oxidation of propargyl radical by atomic oxygen
JF Alarcon, AN Morozov, AM Mebel, A Della Libera, LP Maffei, ...
Proceedings of the Combustion Institute 40 (1-4), 105372, 2024
委任: US Department of Energy
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
委任: Government of Italy
一般公開: 28 件
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
委任: European Commission
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
委任: US Department of Energy
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
委任: US Department of Energy
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