Carine Clavaguéra

A Predicted Organometallic Series Following a 32-Electron Principle: An@C₂₈(An = Th, Pa⁺, U²⁺, Pu⁴⁺)

Jean‐Pierre Dognon, Carine Clavaguéra, Pekka Pyykkö · Journal of the American Chemical Society · 2008 · 116 citations

Materials Science, F-type Orbitals, Engineering +15

Towards a 32‐Electron Principle: Pu@Pb₁₂ and Related Systems

Jean‐Pierre Dognon, Carine Clavaguéra, Pekka Pyykkö · Angewandte Chemie International Edition · 2007 · 96 citations

Cluster Science, Engineering, Pu Blue +14

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

Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies

Carine Clavaguéra, Valérie Vallet, Daniel Maynau et al. · The Journal of Chemical Physics · 2004 · 86 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization

Carine Clavaguéra, Jean‐Pierre Dognon, Pekka Pyykkö · Chemical Physics Letters · 2006 · 79 citations

Engineering, Physics, Molecular Trihalides +9