Carlo Cavallotti

19PUBLICATIONS
48CO-AUTHORS
Inorganic materials (incl. nanomaterials)Radiation and matterChemical and thermal processes in energy and combustionTheoretical quantum chemistryCatalysis and mechanisms of reactions
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Publications (19)

|Sep 24, 2026
Site Density Governs Switching Reactivity Regimes During Aerobic C─H Oxidation in Mn Single-Atom Photocatalysts.

|Jul 20, 2026
DragonBall: A Suite for Vibrational Spectroscopy with Classical Trajectories.

|Feb 23, 2026
Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next.

Alon Grinberg Dana, Kevin M Van Geem, Carlo Cavallotti

|Oct 09, 2025
NN-VRCTST: Neural Network Potentials Meet Variable Reaction Coordinate Transition State Theory for the Rate Constant Determination of Barrierless Reactions.

Simone Vari, Carlo de Falco, Carlo Cavallotti

|Sep 24, 2025
Investigation of methyl-vinyl ketone, 2- and 3-butenal decomposition pathways through semi-automated variable reaction coordinate transition state theory.

Andrea Della Libera, Carlo Cavallotti

|Aug 26, 2025
Crossed-Beams and Theoretical Studies of the Multichannel Reaction O(3P) + 1,2-Butadiene (Methylallene): Product Branching Fractions and Role of Intersystem Crossing.

Gianmarco Vanuzzo, Andrea Giustini, Adriana Caracciolo

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Frequent Collaborators

8 joint publications

Piergiorgio Casavecchia

7 joint publications

Nadia Balucani

3 joint publications

Pedro Recio

3 joint publications

Vincenzo Barone