Aude Marjolin

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

Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra et al. · Theoretical Chemistry Accounts · 2012 · 90 citations

Polarizable Force Fields, Engineering, Physicochemical Analysis +11

Thermodynamic Descriptors for Molecules That Catalyze Efficient CO₂ Electroreductions

Aude Marjolin, John A. Keith · ACS Catalysis · 2015 · 50 citations

Chemical Engineering, Engineering, Molecular Electrochemistry +13

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

Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra et al. · Journal of Molecular Modeling · 2014 · 38 citations

Materials Science, Shell Trivalent Lanthanide, Molecular Solid +10

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

Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra et al. · Chemical Physics Letters · 2013 · 16 citations

Inorganic Chemistry, Chemical Engineering, Engineering +11

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

Mitchell C. Groenenboom, Karthikeyan Saravanan, Yaqun Zhu et al. · The Journal of Physical Chemistry A · 2016 · 16 citations

Engineering, Aromatic N-heterocycles, Molecule Size +18