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List of works by Carmen J. Calzado

Accurate Determination of the Electronic Structure Parameters of the Spin Ladder Compounds SrCu2O3, Sr2Cu3O5 and CaCu2O3

Analysis of the Magnetic Exchange Interactions in Yttrium(III) Complexes Containing Nitronyl Nitroxide Radicals.

scientific article published on 30 May 2017

Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations

scholarly article by Rocío Sánchez-de-Armas et al published 2019 in Inorganic chemistry frontiers

Effect of on-site Coulomb repulsion termUon the band-gap states of the reduced rutile (110)TiO2surface

scholarly article in Physical Review B, vol. 77 no. 4, January 2008

Electronic Structure and Magnetic Interactions in the Radical Salt [BEDT-TTF]2[CuCl4]

scientific article published on 07 June 2018

Evaluation of the Giant Ferromagnetic π-d Interaction in Iron-Phthalocyanine Molecule.

scientific article published on 16 January 2018

Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases

scientific article published on 23 June 2016

Light-Induced Spin Transitions in Copper-Nitroxide-Based Switchable Molecular Magnets: Insights from Periodic DFT+U Calculations

scientific article published on 20 November 2018

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians

scientific article

Mechanism of Magnetostructural Transitions in Copper-Nitroxide-Based Switchable Molecular Magnets: Insights from ab Initio Quantum Chemistry Calculations

scientific article published on 30 June 2015

Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)2]2 molecular crystal

scientific article published on 01 September 2019

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