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The Journal of Chemical Physics|December 3, 2017
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited statesMd Mehboob Alam, Killian Deur, Stefan Knecht, et al.Faraday Discussions|September 10, 2020
Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systemsClotilde Marut, Bruno Senjean, Emmanuel Fromager, et al.Journal of Chemical Theory and Computation|January 14, 2022
Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum EigensolverSaad Yalouz, Emiel Koridon, Bruno Senjean, et al.Inorganic Chemistry|March 27, 2023
Modifications of Tanabe-Sugano d6 Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular ComplexPablo Roseiro, Saad Yalouz, David J R Brook, et al.The Journal of Chemical Physics|October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theoryAlexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.Inorganic Chemistry|June 12, 2025
Modulated Ligand-Ligand Exchange Coupling and Elusive Spinmerism in a Bis(verdazyl)iron(II) ComplexPablo Roseiro, Nadia Ben Amor, Ghenadie Novitchi, et al.The Journal of Physical Chemistry. A|July 13, 2006
Spin-orbit effects in electron transfer in neptunyl(VI)-neptunyl(V) complexes in solutionEmmanuel Fromager, Valerie Vallet, Bernd Schimmelpfennig, et al.The Journal of Chemical Physics|August 14, 2009
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide speciesEmmanuel Fromager, Florent Réal, Pernilla Wåhlin, et al.The Journal of Physical Chemistry. A|July 13, 2006
Electron transfer in neptunyl(VI)-neptunyl(V) complexes in solutionPeter Macak, Emmanuel Fromager, Timofei Privalov, et al.Journal of the American Chemical Society|August 5, 2004
Electron transfer in uranyl(VI)-uranyl(V) complexes in solutionTimofei Privalov, Peter Macak, Bernd Schimmelpfennig, et al.Pageof 5