Benedetta Mennucci

84PUBLICATIONS
187CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryChemical thermodynamics and energeticsFree radical chemistryAir pollution modelling and control
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Publications (84)

|Jul 08, 2026
Molecular Mechanism of the Catalytic Radical Termination in Fatty Acid Photodecarboxylase.

|Jun 16, 2026
The Newton-X platform for mixed quantum-classical dynamics.

|Mar 31, 2026
An Efficient PCM Scheme for ESA Oscillator Strengths within the Unrelaxed TD-DFT Approximation.

Jakub Širůček, Boris Le Guennic, Denis Jacquemin

|Mar 12, 2026
Atomistic simulations reveal the photoactivation mechanism of a carotenoid-binding photoreceptor.

Amanda Arcidiacono, Mattia Bondanza, Lorenzo Cupellini

|Feb 11, 2026
Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules.

Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci

|Jan 31, 2026
Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments.

Chris John, Edoardo Cignoni, Lorenzo Cupellini

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Frequent Collaborators

47 joint publications

Lorenzo Cupellini

17 joint publications

Filippo Lipparini

9 joint publications

Edoardo Cignoni

7 joint publications

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