Browsing by Author Reta Mañeru, Daniel

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Showing results 1 to 4 of 4
Issue DateTitleAuthor(s)
27-May-2016Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approachesReta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
5-Apr-2018Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear ComplexesCosta Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
22-Jan-2016Understanding and predicting magnetic coupling in complex systems: from inorganic complexes to organic polyradicalsReta Mañeru, Daniel
14-Apr-2022Unparalleled selectivity and electronic structure of heterometallic [LnLn'Ln] molecules as 3-qubit quantum gatesManiaki, Diamantoula; Garay-Ruiz, Diego; Barrios Moreno, Leoní Alejandra; Martins, Daniel O.T.A.; Aguilà Avilés, David; Tuna, Floriana; Reta Mañeru, Daniel; Roubeau, Olivier; Bo, Carles; Aromí Bedmar, Guillem