| Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies A Marjolin, C Gourlaouen, C Clavaguéra, PY Ren, JC Wu, N Gresh, ... Theoretical Chemistry Accounts 131, 1-14, 2012 | 76 | 2012 |
| Thermodynamic Descriptors for Molecules That Catalyze Efficient CO2 Electroreductions A Marjolin, JA Keith Acs Catalysis 5 (2), 1123-1130, 2015 | 62 | 2015 |
| Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics A Marjolin, C Gourlaouen, C Clavaguéra, PY Ren, JP Piquemal, ... Journal of molecular modeling 20, 1-7, 2014 | 47 | 2014 |
| Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes A Marjolin, C Gourlaouen, C Clavaguéra, JP Dognon, JP Piquemal Chemical Physics Letters 563, 25-29, 2013 | 18 | 2013 |
| Structural and substituent group effects on multielectron standard reduction potentials of aromatic n-heterocycles MC Groenenboom, K Saravanan, Y Zhu, JM Carr, A Marjolin, GG Faura, ... The Journal of Physical Chemistry A 120 (34), 6888-6894, 2016 | 15 | 2016 |
| Understanding the structure and electronic properties of Th4+-water complexes C Gourlaouen, C Clavaguéra, A Marjolin, JP Piquemal, JP Dognon Canadian Journal of Chemistry 91 (9), 821-831, 2013 | 6 | 2013 |
| Theoretical Characterization of the Minimum-Energy Structure of (SF6)2 T Vazhappilly, A Marjolin, KD Jordan The Journal of Physical Chemistry B 120 (8), 1788-1792, 2016 | 4 | 2016 |
| Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields R Chaudret, B De Courcy, A Marjolin, MC van Severen, PY Ren, JC Wu, ... AIP Conference Proceedings 1504 (1), 699-702, 2012 | 2 | 2012 |
| Unraveling the Electrochemical Reactivities of Aromatic N-Heterocycles with Quantum Chemistry M Groenenboom, Y Zhu, K Saravanan, J Carr, A Marjolin, J Keith 24th North American Catalysis Society Meeting, 2015 | | 2015 |
| New generation force field for molecular dynamic simulation of lanthanide and actinide complexes in solution A Marjolin, JP Dognon RCTF2014 (14ème Rencontre des Chimistes Théoriciens Francophones), 2014 | | 2014 |
| Static and dynamic modelling of lanthanide and actinide cations in solution; Modelisation statique et dynamique de cations lanthanides et actinides en solution A Marjolin | | 2012 |
| Modélisation statique et dynamique de cations lanthanides et actinides en solution A Marjolin Université Pierre et Marie Curie-Paris VI, 2012 | | 2012 |
| Static and dynamic modelling of lanthanide and actinide cations in solution A Marjolin Universite Paris VI, 2012 | | 2012 |
| B. 15 Champ de forces de nouvelle génération pour des simulations de complexes de lanthanides et d'actinides en solution A Marjolin, C Gourlaouen, C Clavaguera, P Ren, JP Piquemal, ... Bienvenue à Paris pour le 14e des Rencontres des, 138, 0 | | |
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéVerified email at sorbonne-universite.fr
