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Carlo Cavallotti

Polytechnic University of Milan

167

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A Computational Study on the Attack of Nitrogen and Oxygen Atoms to Toluene

2021 ICCSA | International Conference on Computational Science and Its Applications
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On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation

2021 Combustion and Flame
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An evolutionary, data-driven approach for mechanism optimization: theory and application to ammonia combustion

2021 Combustion and Flame
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Crossed-Beam and Theoretical Studies of the O(3P, 1D) + Benzene Reactions: Primary Products, Branching Fractions, and Role of Intersystem Crossing.

2021 Journal of Physical Chemistry A
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An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

2020 Reaction Chemistry and Engineering
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Theoretical study of sensitive reactions in phenol decomposition

2020 Reaction Chemistry and Engineering
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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

2020 Monthly Notices of the Royal Astronomical Society
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Theoretical Study of the Extent of Intersystem Crossing in the O(3P) + C6H6 Reaction with Experimental Validation.

2020 Journal of Physical Chemistry Letters
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EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate Constants—A Code for Automatically Predicting the Thermal Kinetics of Reactions

2019 Journal of Chemical Theory and Computation
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Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics

2019
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Citations (34)