1. A photo-induced spin crossover based molecular switch and spin filter operating at room temperature. Issue 19 (26th April 2021) Authors: Montenegro-Pohlhammer, Nicolás; Sánchez-de-Armas, Rocío; Calzado, Carmen J.; Borges-Martínez, Merlys; Cárdenas-Jirón, Gloria Journal: Dalton transactions Issue: Volume 50:Issue 19(2021) Page Start: 6578 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A theoretical study of the super exchange mechanism and magneto-structural relationships in the [Mn(iii)2(μ-F)F4(Me3tacn)2](PF6) coordination compound. (25th July 2018) Authors: Montenegro-Pohlhammer, Nicolás; Páez-Hernández, Dayán; Calzado, Carmen J.; Arratia-Pérez, Ramiro Journal: New journal of chemistry Issue: Volume 42:Number 16(2018) Page Start: 13847 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. ChemInform Abstract: Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians. Issue 8 (25th February 2014) Authors: Malrieu, Jean Paul; Caballol, Rosa; Calzado, Carmen J.; de Graaf, Coen; Guihery, Nathalie Journal: ChemInform Issue: Volume 45:Issue 8(2014) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Computational demonstration of isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron(ii) spin-crossover complexes. Issue 5 (6th January 2023) Authors: Montenegro-Pohlhammer, Nicolás; Kuppusamy, Senthil Kumar; Cárdenas-Jirón, Gloria; Calzado, Carmen J.; Ruben, Mario Journal: Dalton transactions Issue: Volume 52:Issue 5(2023) Page Start: 1229 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations12. Issue 5 (4th April 2019) Authors: Sánchez-de-Armas, Rocío; Cruz Hernández, Norge; Calzado, Carmen J. Journal: Inorganic chemistry frontiers Issue: Volume 6:Issue 5(2019) Page Start: 1228 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Deposition of the Spin Crossover FeII–Pyrazolylborate Complex on Au(111) Surface at the Molecular Level. Issue 2 (4th December 2020) Authors: Montenegro‐Pohlhammer, Nicolás; Sánchez‐de‐Armas, Rocío; Calzado, Carmen J. Journal: Chemistry Issue: Volume 27:Issue 2(2021) Page Start: 712 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Electronic structure aspects of the complete O2 transfer reaction between Ni(ii) and Mn(ii) complexes with cyclam ligands. Issue 4 (15th December 2014) Authors: Zapata-Rivera, Jhon; Caballol, Rosa; Calzado, Carmen J. Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 4(2015) Page Start: 2814 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Exploring the potential as molecular quantum-dot cellular automata of a mixed-valence Ru2 complex deposited on a Au(111) surface. Issue 8 (3rd April 2023) Authors: Montenegro-Pohlhammer, Nicolás; Palomino, Carlos M.; Calzado, Carmen J. Journal: Inorganic chemistry frontiers Issue: Volume 10:Issue 8(2023) Page Start: 2484 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. 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. Issue 27 (23rd June 2016) Authors: Tenti, Lorenzo; Maynau, Daniel; Angeli, Celestino; Calzado, Carmen J. Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 27(2016) Page Start: 18365 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Improving the calculation of magnetic coupling constants in MRPT methods. Issue 23 (3rd July 2014) Authors: Spivak, Mariano; Angeli, Celestino; Calzado, Carmen J.; de Graaf, Coen Journal: Journal of computational chemistry Issue: Volume 35:Issue 23(2014) Page Start: 1665 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗