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Referencias:

• Kahn, O., (1993) Molecular Magnetism, , 1 st ed. VCH Publishers, Inc. New York
• Wernsdorfer, W., Sessoli, R., Quantum Phase Interference and Parity Effects in Magnetic Molecular Clusters (1999) Science, 284, pp. 133-135
• Christou, G., Gatteschi, D., Hendrickson, D.N., Sessoli, R., Single-Molecule Magnets (2000) MRS Bull., 25, pp. 66-71
• Ishikawa, N., Sugita, M., Ishikawa, T., Koshihara, S., Kaizu, Y., Lanthanide Double-Decker Complexes Functioning as Magnets at the Single-Molecular Level (2003) J. Am. Chem. Soc., 125, pp. 8694-8695
• Miller, J.S., Magnetically Ordered Molecule-based Materials (2011) Chem. Soc. Rev., 40, pp. 3266-3296
• Sugawara, T., Matsushita, M.M., Spintronics in Organic π-electronic Systems (2009) J. Mater. Chem., 19, pp. 1738-1753
• Ratera, I., Veciana, J., Playing with Organic Radicals as Building Blocks for Functional Molecular Materials (2012) Chem. Soc. Rev., 41, pp. 303-349
• Ganzhorn, M., Wernsdorfer, W., Bartolome, J., Luis, F., Fernandez, J., (2014) Molecular Magnets, , Springer: Berlin
• Atanasov, M., Aravena, D., Suturina, E., Bill, E., Maganas, D., Neese, F., First Principles Approach to the Electronic Structure, Magnetic Anisotropy and Spin Relaxation in Mononuclear 3d-transition Metal Single Molecule Magnets (2015) Coord. Chem. Rev., 289-290, pp. 177-214
• Postnikov, A.V., Kortus, J., Pederson, M.R., Density functional studies of molecular magnets (2006) Phys. Status Solidi B, 243, pp. 2533-2572
• Sessoli, R., Gatteschi, D., Caneschi, A., Novak, M.A., Magnetic Bistability in a Metal-ion Cluster (1993) Nature, 365, pp. 141-143
• Gatteschi, D., Sessoli, R., Villain, J., (2006) Molecular Nanomagnets, , Oxford University Press: New York
• Meng, Y.-S., Jiang, S.-D., Wang, B.-W., Gao, S., Understanding the Magnetic Anisotropy toward Single-Ion Magnets (2016) Acc. Chem. Res., 49, pp. 2381-2389
• Gomez-Coca, S., Cremades, E., Aliaga-Alcalde, N., Ruiz, E., Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes (2013) J. Am. Chem. Soc., 135, pp. 7010-7018
• Baruah, T., Pederson, M.R., Electronic structure and magnetic anisotropy of the [Co4(hmp)4(CH3OH)4Cl4] molecule (2002) Chem. Phys. Lett., 360, pp. 144-148
• Maganas, D., Sottini, S., Kyritsis, P., Groenen, E.J.J., Neese, F., Theoretical Analysis of the Spin Hamiltonian Parameters in Co(II)S4 Complexes, Using Density Functional Theory and Correlated ab initio Methods (2011) Inorg. Chem., 50, pp. 8741-8754
• Fataftah, M.S., Zadrozny, J.M., Rogers, D.M., Freedman, D.E., A Mononuclear Transition Metal Single-Molecule Magnet in a Nuclear Spin-Free Ligand Environment (2014) Inorg. Chem., 53, pp. 10716-10721
• King, B.T., Noll, B.C., McKinley, A.J., Michl, J., Dodecamethylcarba-closo-dodecaboranyl (CB11Me12), a Stable Free Radical (1996) J. Am. Chem. Soc., 118, pp. 10902-10903
• Grimes, R.N., (2016) Carboranes, , 3 rd ed. Academic Press: New York
• Hnyk, D., McKee, M., (2015) Boron: The Fifth Element, in Challenges and Advances in Computational Chemistry and Physics 20, , Springer: Dordrecht
• Oliva, J.M., Alcoba, D.R., Lain, L., Torre, A., Electronic Structure Studies of Diradicals Derived from Closo-Carboranes (2013) Theor. Chem. Acc., 132, p. 1329
• Oliva, J.M., Alcoba, D.R., Oña, O.B., Torre, A., Lain, L., Michl, J., Toward (Car)Borane-based Molecular Magnets (2015) Theor. Chem. Acc., 134, p. 9
• Alcoba, D.R., Oña, O.B., Massaccesi, G.E., Torre, A., Lain, L., Notario, R., Oliva, J.M., Molecular Magnetism in Closo-azadodecaborane Supericosahedrons (2016) Mol. Phys., 114, pp. 400-406
• Oña, O.B., Alcoba, D.R., Torre, A., Lain, L., Massaccesi, G.E., Oliva-Enrich, J.M., Determination of Exchange Coupling Constants in Linear Polyradicals by means of Local Spins (2017) Theor. Chem. Acc., 136, p. 35
• Tu, D., Shao, D., Yan, H., Lu, C., A Carborane-Incorporated Mononuclear Co(ii) Complex Showing Zero-Field Slow Magnetic Relaxation (2016) Chem. Commun., 52, pp. 14326-14329
• Novikov, V.V., Pavlov, A.A., Nelyubina, Y.V., Boulon, M.-E., Varzatskii, O.A., Voloshin, Y.Z., Winpenny, R.E.P., A Trigonal Prismatic Mononuclear Cobalt(II) Complex Showing Single-Molecule Magnet Behavior (2015) J. Am. Chem. Soc., 137, pp. 9792-9795
• Becke, A.D., Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior (1988) Phys. Rev. A: At., Mol., Opt. Phys., 38, pp. 3098-3100
• Stephens, P.J., Devlin, F.J., Chabalowski, C.F., Frisch, M.J., Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields (1994) J. Phys. Chem., 98, p. 11623
• Perdew, J.P., Burke, K., Ernzerhof, M., Generalized Gradient Approximation Made Simple (1996) Phys. Rev. Lett., 77, p. 3865
• Perdew, J.P., Burke, K., Ernzerhof, M., Errata: Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] (1997) Phys. Rev. Lett., 78, p. 1396
• Perdew, J.P., Density-functional approximation for the correlation energy of the inhomogeneous electron gas (1986) Phys. Rev. B: Condens. Matter Mater. Phys., 33, pp. 8822-8824
• Perdew, J.P., Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas (1986) Phys. Rev. B: Condens. Matter Mater. Phys., 34, p. 7406
• Schäfer, A., Horn, H., Ahlrichs, R., Fully optimized contracted Gaussian basis sets for atoms Li to Kr (1992) J. Chem. Phys., 97, pp. 2571-2577
• Weigend, F., Ahlrichs, R., Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy (2005) Phys. Chem. Chem. Phys., 7, pp. 3297-3305
• Dyall, K.G., Faegri, K., (2007) Introduction to Relativistic Quantum Chemistry, , Oxford University Press: Oxford
• Neese, F., The ORCA program system (2012) Wiley Interdisciplinary Reviews: Comput. Mol. Sci., 2, pp. 73-78
• Koch, W., Holthausen, M.C.A., (2001) A Chemist's Guide to Density Functional Theory, , 2 nd ed. Wiley-VCH: Weinheim
• Vaidya, S., Tewary, S., Singh, S.K., Langley, S.K., Murray, K.S., Lan, Y., Wernsdorfer, W., Shanmugam, M., What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets? (2016) Inorg. Chem., 55, pp. 9564-9578
• Chibotaru, L.F., Ungur, L., Ab initio Calculation of Anisotropic Magnetic Properties of Complexes. I. Unique Definition of Pseudospin Hamiltonians and their Derivation (2012) J. Chem. Phys., 137, p. 064112
• Neese, F., Quantum Chemistry and EPR Parameters (2017) EMagRes., 6, pp. 1-22
• Rechkemmer, Y., Breitgoff, F.D., Van Der Meer, M., Atanasov, M., Hakl, M., Orlita, M., Neugebauer, P., Van Slageren, J., A Four-Coordinate Cobalt(II) Single-ion Magnet with Coercivity and a Very High Energy Barrier (2016) Nat. Commun., 7, p. 10467
• Todd, M.J., Yildirim, E.A., On Khachiyan's Algorithm for the Computation of Minimum-volume Enclosing Ellipsoids (2007) Discrete Appl. Math., 155, pp. 1731-1744
• Cumby, J., Attfield, J.P., Ellipsoidal Analysis of Coordination Polyhedra (2017) Nat. Commun., 8, p. 14235

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