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Gourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre (2013) Understanding the structure and electronic properties of Th4+-water complexes. Canadian Journal of Chemistry, 91 (9). 821-831 doi:10.1139/cjc-2012-0546

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Reference TypeJournal (article/letter/editorial)
TitleUnderstanding the structure and electronic properties of Th4+-water complexes
JournalCanadian Journal of Chemistry
AuthorsGourlaouen, ChristopheAuthor
Clavaguéra, CarineAuthor
Marjolin, AudeAuthor
Piquemal, Jean-PhilipAuthor
Dognon, Jean-PierreAuthor
Year2013 (September)Volume91
Issue9
PublisherCanadian Science Publishing
DOIdoi:10.1139/cjc-2012-0546Search in ResearchGate
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Mindat Ref. ID8328556Long-form Identifiermindat:1:5:8328556:5
GUID0
Full ReferenceGourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre (2013) Understanding the structure and electronic properties of Th4+-water complexes. Canadian Journal of Chemistry, 91 (9). 821-831 doi:10.1139/cjc-2012-0546
Plain TextGourlaouen, Christophe, Clavaguéra, Carine, Marjolin, Aude, Piquemal, Jean-Philip, Dognon, Jean-Pierre (2013) Understanding the structure and electronic properties of Th4+-water complexes. Canadian Journal of Chemistry, 91 (9). 821-831 doi:10.1139/cjc-2012-0546
In(2013, September) Canadian Journal of Chemistry Vol. 91 (9) Canadian Science Publishing

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Marjolin, A., Gourlaouen, C., Clavaguéra, C., Dognon, J.-P., Piquemal, J.-P. (2013) Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes. Chemical Physics Letters, 563. 25-29 doi:10.1016/j.cplett.2013.01.066
Chaudret, Robin, Gresh, Nohad, Cisneros, G. Andrés, Scemama, Anthony, Piquemal, Jean-Philip (2013) Further refinements of next-generation force fields — Nonempirical localization of off-centered points in molecules. Canadian Journal of Chemistry, 91 (9). 804-810 doi:10.1139/cjc-2012-0547
Clavaguéra, Carine, Calvo, Florent, Dognon, Jean-Pierre (2006) Theoretical study of the hydrated Gd3+ ion: Structure, dynamics, and charge transfer. The Journal of Chemical Physics, 124 (7). 74505pp. doi:10.1063/1.2167647
Pollet, Rodolphe, Clavaguéra, Carine, Dognon, Jean-Pierre (2006) Ultrasoft pseudopotentials for lanthanide solvation complexes: Core or valence character of the 4f electrons. The Journal of Chemical Physics, 124 (16). 164103pp. doi:10.1063/1.2191498
Dognon, Jean-Pierre, Clavaguéra, Carine, Pyykkö, Pekka (2012) A new, centered 32-electron system: the predicted [U@Si20]6−-like isoelectronic series. Chemical Science, 3. 2843pp. doi:10.1039/c2sc20448g
Dognon, Jean-Pierre, Clavaguéra, Carine, Pyykkö, Pekka (2007) Towards a 32-Electron Principle: Pu@Pb12 and Related Systems. Angewandte Chemie, 119 (9). 1449-1452 doi:10.1002/ange.200604198
Dognon, Jean-Pierre, Clavaguéra, Carine, Pyykkö, Pekka (2010) Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12. Comptes Rendus Chimie, 13 (6). 884-888 doi:10.1016/j.crci.2010.05.012
Dognon, Jean-Pierre, Clavaguéra, Carine, Pyykkö, Pekka (2007) Towards a 32-Electron Principle: Pu@Pb12 and Related Systems. Angewandte Chemie International Edition, 46 (9). 1427-1430 doi:10.1002/anie.200604198
Gourlaouen, Christophe, Gérard, Hélène, Piquemal, Jean-Philip, Parisel, Olivier (2008) Understanding Lead Chemistry from Topological Insights: The Transition between Holo- and Hemidirected Structures within the [Pb(CO)n]2+ Model Series. Chemistry - A European Journal, 14 (9). 2730-2743 doi:10.1002/chem.200701265
Thaunay, Florian, Dognon, Jean-Pierre, Ohanessian, Gilles, Clavaguéra, Carine (2015) Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field. Physical Chemistry Chemical Physics, 17 (39). 25968-25977 doi:10.1039/c5cp02270c
Clavaguéra, Carine, Sansot, Emmanuelle, Calvo, Florent, Dognon, Jean-Pierre (2006) Gd(III) Polyaminocarboxylate Chelate:  Realistic Many-Body Molecular Dynamics Simulations for Molecular Imaging Applications. The Journal of Physical Chemistry B, 110 (26). 12848-12851 doi:10.1021/jp062277c
 
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