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Physical Chemistry

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Theoretical and Computational Chemistry

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Eduarda Sangiogo Gil

4 results in Authors: Eduarda Sangiogo Gil

Theoretical and Computational Chemistry

Investigating the photodynamics of trans-azobenzene with coupled trajectories

Carlotta Pieroni, Eduarda Sangiogo Gil, Lea-Maria Ibele, Maurizio Persico, Giovanni Granucci, Federica Agostini

Version 1 posted 11 September 2023

105

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Theoretical and Computational Chemistry

The Newton-X platform: new software developments for surface hopping and nuclear ensembles

Mario BARBATTI, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo Dral, Giovanni Granucci, Fabris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jiri Pittner, Felix Plasser, Eduarda Sangiogo Gil, Lijljana Stojanovic

Version 1 posted 11 August 2022

403

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Theoretical and Computational Chemistry

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Eduarda Sangiogo Gil, David Lauvergnat, Federica Agostini

Version 2 posted 21 June 2024

161

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Theoretical and Computational Chemistry

Simulations of photoinduced processes with the exact factorization: State of the art and perspectives

Lea Maria Ibele, Eduarda Sangiogo Gil, Evaristo Villaseco Arribas, Federica Agostini

Version 1 posted 24 June 2024

40

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