Cecilia Coletti

24PUBLICATIONS
41CO-AUTHORS
Chemical thermodynamics and energeticsStructural properties of condensed matterBiologically active moleculesPolymerisation mechanismsTheoretical quantum chemistry
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Publications (24)

|Jul 17, 2026
Decoding vibrational energy transfer in CO-O2 collisions: Vibrational state-to-state rate coefficient datasets on a new potential energy surface.

|Jan 14, 2026
Vibrational relaxation rate coefficients in CS-He collisions up to the dissociation limit: mixed quantum-classical calculations and neural network predictions.

Marco Pezzella, Fernando Pirani, Massimiliano Bartolomei

|Mar 19, 2025
The many faces of vibrational energy relaxation in N2(v) + O(1D) collisions: Dynamics on 1Π and 1Δ potential energy surfaces.

Qizhen Hong, Massimiliano Bartolomei, Fernando Pirani

|Jan 06, 2025
Unprecedented carbonic anhydrase inhibition mechanism: Targeting histidine 64 side chain through a halogen bond.

Roberto Paciotti, Simone Carradori, Andrea Angeli

|Nov 09, 2024
Carbon Monoxide Release from Aryl-Propargyl Dicobalt(0)Hexacarbonyl Derivatives: A Computational and Experimental Study.

Roberto Paciotti, Cecilia Coletti, Emanuela Berrino

|Feb 27, 2024
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface.

Qizhen Hong, Loriano Storchi, Cecilia Coletti

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Frequent Collaborators

11 joint publications

Nazzareno Re

7 joint publications

Qizhen Hong

6 joint publications

Fernando Pirani

6 joint publications

Massimiliano Bartolomei