Michel Masella

3PUBLICATIONS
5CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryTransport properties and non-equilibrium processes
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Publications (3)

|Sep 23, 2021
Hybrid polarizable simulations of a conventional hydrophobic polyelectrolyte. Toward a theoretical tool for green science innovation.

Michel Masella, Alina Crudu, Fabien Léonforté

|Nov 10, 2019
Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution.

Céline Houriez, Florent Réal, Valérie Vallet

|Nov 04, 2017
Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts.

Céline Houriez, Valérie Vallet, Florent Réal

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Frequent Collaborators

2 joint publications

Valérie Vallet

2 joint publications

Michael Meot-Ner Mautner

1 joint publications

Céline Houriez

1 joint publications

Florent Réal