Cecilia Coletti

23PUBLICATIONS
39CO-AUTHORS
Structural properties of condensed matterChemical thermodynamics and energeticsBiologically active moleculesPolymerisation mechanismsTheoretical quantum chemistry
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Publications (23)

|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

|Nov 26, 2023
Improved Quantum-Classical Treatment of N<sub>2</sub>-N<sub>2</sub> Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets.

Qizhen Hong, Loriano Storchi, Quanhua Sun

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Frequent Collaborators

11 joint publications

Nazzareno Re

6 joint publications

Massimiliano Bartolomei

6 joint publications

Qizhen Hong

5 joint publications

Maria Elisa Crestoni