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The Journal of Chemical Physics|December 13, 2022
Quantum embedding of multi-orbital fragments using the block-Householder transformationSaad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 26, 2022
Emergence of Spinmerism for Molecular Spin-Qubits GenerationPablo Roseiro, Louis Petit, Vincent Robert, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2024
Interplay between Spinmerism and Spin-Orbit Coupling for a d2 Metal Ion in an Open-Shell Ligand FieldPablo Roseiro, Ashini Shah, Saad Yalouz, 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.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.Pageof 2