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Guillaume Le Breton

4 results in Authors: Guillaume Le Breton

Physical Chemistry

Hyperpolarizability of Water at the Air-Vapor Interface: Numerical Modeling Questions Standard Experimental Approximations

Guillaume Le Breton, Oriane Bonhomme, Pierre-François Brevet, Emmanuel Benichou, Claire Loison

Version 1 posted 16 March 2021

336

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1

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Theoretical and Computational Chemistry

FROG : exploiting all-atom Molecular Dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme

Le Breton Guillaume, Bonhomme Oriane, Benichou Emmanuel, Claire Loison

Version 1 posted 29 March 2024

167

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Physical Chemistry

Liquid Water : When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities

Guillaume Le Breton, Oriane Bonhomme, Emmanuel Benichou, Claire Loison

Version 1 posted 13 February 2023

111

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Theoretical and Computational Chemistry

First hyperpolarizability of water in the bulk phase: long-range electrostatic effects included via the second hyperpolarizability

Guillaume Le Breton, Oriane Bonhomme, Emmanuel Benichou, Claire Loison

Version 1 posted 16 February 2022

249

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