Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics von Marjolin, Aude, Gourlaouen, Christophe, Clavaguéra, Carine, Ren, Pengyu Y., Piquemal, Jean-Philip, Dognon, Jean-Pierre

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Thermodynamic Descriptors for Molecules That Catalyze Efficient CO2 Electroreductions von Marjolin, Aude, Keith, John A

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Thermodynamic Descriptors for Molecules That Catalyze Efficient CO 2 Electroreductions von Marjolin, Aude, Keith, John A.

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Theoretical Characterization of the Minimum-Energy Structure of (SF6)2 von Vazhappilly, Tijo, Marjolin, Aude, Jordan, Kenneth D

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Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies von Marjolin, Aude, Gourlaouen, Christophe, Clavaguéra, Carine, Ren, Pengyu Y., Wu, Johnny C., Gresh, Nohad, Dognon, Jean-Pierre, Piquemal, Jean-Philip

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Structural and Substituent Group Effects on Multielectron Standard Reduction Potentials of Aromatic N‑Heterocycles von Groenenboom, Mitchell C, Saravanan, Karthikeyan, Zhu, Yaqun, Carr, Jeffrey M, Marjolin, Aude, Faura, Gabriel G, Yu, Eric C, Dominey, Raymond N, Keith, John A

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

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Understanding the structure and electronic properties of Th 4+ -water complexes von Gourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre

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Understanding the structure and electronic properties of Th^sup 4+^-water complexes von Gourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre

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Understanding the structure and electronic properties of [Th.sup.4+]-water complexes von Gourlaouen, Christophe, Clavaguera, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre

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Understanding the structure and electronic properties of Th4+-water complexes von Gourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre

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