Aude Marjolin, Ph D.
Affiliations: | 2009-2012 | Chemistry | Université Pierre et Marie Curie, Paris, Île-de-France, France |
| 2012- | Chemistry | University of Pittsburgh, Pittsburgh, PA, United States | |
| 2018- | S&P Global Market Intelligence |
Area:
Theoretical ChemistryWebsite:
http://www.pqi.org/staffGoogle:
"Aude Marjolin"Mean distance: 8.58 | S | N | B | C | P |
Parents
Sign in to add mentor| Jean-Pierre Dognon | grad student | 2009-2012 | Université Pierre et Marie Curie | |
| (Static and dynamic modeling of lanthanide and actinide ions in solution.) | ||||
| Jean-Philip Piquemal | grad student | 2009-2012 | Université Pierre et Marie Curie | |
| (Static and dynamic modeling of lanthanide and actinide ions in solution.) | ||||
| Kenneth D. Jordan | post-doc | 2012-2014 | University of Pittsburgh | |
| John A. Keith | post-doc | 2014-2015 | University of Pittsburgh | |
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Publications
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| Groenenboom MC, Saravanan K, Zhu Y, et al. (2016) Structural and Substituent Group Effects on Multielectron Standard Reduction Potentials of Aromatic N-Heterocycles. The Journal of Physical Chemistry. A |
| Vazhappilly T, Marjolin A, Jordan KD. (2015) Theoretical Characterization of the Minimum Energy Structure of (SF6)2. The Journal of Physical Chemistry. B |
| Marjolin A, Keith JA. (2015) Thermodynamic descriptors for molecules that catalyze efficient CO2 electroreductions Acs Catalysis. 5: 1123-1130 |
| Marjolin A, Gourlaouen C, Clavaguéra C, et al. (2014) Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics. Journal of Molecular Modeling. 20: 2471 |
| Gourlaouen C, Clavaguéra C, Marjolin A, et al. (2013) Understanding the structure and electronic properties of Th 4+-water complexes Canadian Journal of Chemistry. 91: 821-831 |
| Marjolin A, Gourlaouen C, Clavaguéra C, et al. (2013) Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes Chemical Physics Letters. 563: 25-29 |
| Chaudret R, De Courcy B, Marjolin A, et al. (2012) Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields Aip Conference Proceedings. 1504: 699-702 |
| Marjolin A, Gourlaouen C, Clavaguéra C, et al. (2012) Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: From gas-phase energetics to hydration free energies Theoretical Chemistry Accounts. 131: 1-14 |