Aude Marjolin

Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes

J. Piquemal, J. Dognon, C. Gourlaouen, 2013 .

Thermodynamic Descriptors for Molecules That Catalyze Efficient CO2 Electroreductions

J. Keith, Aude Marjolin, 2015 .

Structural and Substituent Group Effects on Multielectron Standard Reduction Potentials of Aromatic N-Heterocycles.

K. Saravanan, J. Keith, Mitchell C. Groenenboom, 2016, The journal of physical chemistry. A.

Understanding the structure and electronic properties of Th4+-water complexes

J. Piquemal, J. Dognon, C. Gourlaouen, 2013 .

Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics

Jean-Philip Piquemal, Carine Clavaguéra, Christophe Gourlaouen, 2014, Journal of Molecular Modeling.

Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies

Nohad Gresh, Jean-Philip Piquemal, Pengyu Ren, 2012, Theoretical Chemistry Accounts.

Theoretical Characterization of the Minimum-Energy Structure of (SF6)2.

K. Jordan, Tijo Vazhappilly, Aude Marjolin, 2016, The journal of physical chemistry. B.