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Identificação

Identificação pessoal

Nome completo
Alejandro Gaita Ariño

Nomes de citação

  • Ariño, Alejandro

Identificadores de autor

Ciência ID
841C-CA2D-FBC1
ORCID iD
0000-0002-1600-8627
Produções

Publicações

Artigo em conferência
  1. Clemente-Juan, J.M.; Gaita-Ariño, A.; Borrás-Almenar, J.J.; Coronado, E.; Palii, A.; Tsukerblat, B.. "Electronic and vibronic problems of nanosized mixed valence clusters: Advances and challenges". 2013.
    10.1088/1742-6596/428/1/012037
Artigo em revista
  1. Gutiérrez-Finol, G.M.; Ullah, A.; González-Béjar, M.; Gaita-Ariño, A.. "A call for frugal modelling: two case studies involving molecular spin dynamics". Green Chemistry (2025): http://www.scopus.com/inward/record.url?eid=2-s2.0-85215586003&partnerID=MN8TOARS.
    10.1039/d4gc04900d
  2. Gimeno, I.; Rollano, V.; Zueco, D.; Duan, Y.; De Ory, M.C.; Gomez, A.; Gaita-Ariño, A.; et al. "Optimal coupling of Ho W10 molecular magnets to superconducting circuits near spin clock transitions". Physical Review Applied 20 4 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85176422426&partnerID=MN8TOARS.
    10.1103/PhysRevApplied.20.044070
  3. Kundu, K.; Chen, J.; Hoffman, S.; Marbey, J.; Komijani, D.; Duan, Y.; Gaita-Ariño, A.; et al. "Electron-nuclear decoupling at a spin clock transition". Communications Physics 6 1 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85149060718&partnerID=MN8TOARS.
    10.1038/s42005-023-01152-w
  4. Musfeldt, J.L.; Liu, Z.; López-Alcalá, D.; Duan, Y.; Gaita-Ariño, A.; Baldoví, J.J.; Coronado, E.. "Vibronic Relaxation Pathways in Molecular Spin Qubit Na9[Ho(W5O18)2]·35H2O under Pressure". Magnetochemistry 9 2 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85148618465&partnerID=MN8TOARS.
    10.3390/magnetochemistry9020053
  5. Dergachev, V.D.; Nakritskaia, D.D.; Alexeev, Y.; Gaita-Ariño, A.; Varganov, S.A.. "Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets". Journal of Chemical Physics 159 18 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85176576927&partnerID=MN8TOARS.
    10.1063/5.0168996
  6. Hu, Z.; Wang, Y.; Ullah, A.; Gutiérrez-Finol, G.M.; Bedoya-Pinto, A.; Gargiani, P.; Shi, D.; et al. "High-temperature magnetic blocking in a monometallic dysprosium azafullerene single-molecule magnet". Chem 9 12 (2023): 3613-3622. http://www.scopus.com/inward/record.url?eid=2-s2.0-85174542206&partnerID=MN8TOARS.
    10.1016/j.chempr.2023.08.007
  7. Gutiérrez-Finol, G.M.; Giménez-Santamarina, S.; Hu, Z.; Rosaleny, L.E.; Cardona-Serra, S.; Gaita-Ariño, A.. "Lanthanide molecular nanomagnets as probabilistic bits". npj Computational Materials 9 1 (2023): http://www.scopus.com/inward/record.url?eid=2-s2.0-85174539464&partnerID=MN8TOARS.
    10.1038/s41524-023-01149-7
  8. Pei, T.; Thomas, J.O.; Sopp, S.; Tsang, M.-Y.; Dotti, N.; Baugh, J.; Chilton, N.F.; et al. "Exchange-induced spin polarization in a single magnetic molecule junction". Nature Communications 13 1 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85135229171&partnerID=MN8TOARS.
    10.1038/s41467-022-31909-w
  9. Duan, Y.; Rosaleny, L.E.; Coutinho, J.T.; Giménez-Santamarina, S.; Scheie, A.; Baldoví, J.J.; Cardona-Serra, S.; Gaita-Ariño, A.. "Data-driven design of molecular nanomagnets". Nature Communications 13 1 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85143705864&partnerID=MN8TOARS.
    10.1038/s41467-022-35336-9
  10. Ullah, A.; Hu, Z.; Cerdá, J.; Aragó, J.; Gaita-Ariño, A.. "Electrical two-qubit gates within a pair of clock-qubit magnetic molecules". npj Quantum Information 8 1 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85142181418&partnerID=MN8TOARS.
    10.1038/s41534-022-00647-8
  11. Forment-Aliaga, A.; Gaita-Ariño, A.. "Chiral, magnetic, molecule-based materials: A chemical path toward spintronics and quantum nanodevices". Journal of Applied Physics 132 18 (2022): http://www.scopus.com/inward/record.url?eid=2-s2.0-85144328584&partnerID=MN8TOARS.
    10.1063/5.0118582
  12. López-Cabrelles, J.; Escalera-Moreno, L.; Hu, Z.; Prima-García, H.; Espallargas, G.M.; Gaita-Ariño, A.; Coronado, E.. "Near Isotropic D4 dSpin Qubits as Nodes of a Gd(III)-Based Metal-Organic Framework". Inorganic Chemistry 60 12 (2021): 8575-8580. http://www.scopus.com/inward/record.url?eid=2-s2.0-85108532893&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.1c00504
  13. Ullah, A.; Baldoví, J.J.; Gaita-Arinõ, A.; Coronado, E.. "Insights on the coupling between vibronically active molecular vibrations and lattice phonons in molecular nanomagnets". Dalton Transactions 50 32 (2021): 11071-11076. http://www.scopus.com/inward/record.url?eid=2-s2.0-85113726511&partnerID=MN8TOARS.
    10.1039/d1dt01832a
  14. Hu, Z.; Ullah, A.; Prima-Garcia, H.; Chin, S.-H.; Wang, Y.; Aragó, J.; Shi, Z.; Gaita-Ariño, A.; Coronado, E.. "Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits". Chemistry - A European Journal 27 52 (2021): 13242-13248. http://www.scopus.com/inward/record.url?eid=2-s2.0-85112105889&partnerID=MN8TOARS.
    10.1002/chem.202101922
  15. Liu, J.; Mrozek, J.; Ullah, A.; Duan, Y.; Baldoví, J.J.; Coronado, E.; Gaita-Ariño, A.; Ardavan, A.. "Quantum coherent spin–electric control in a molecular nanomagnet at clock transitions". Nature Physics 17 11 (2021): 1205-1209. http://www.scopus.com/inward/record.url?eid=2-s2.0-85117207391&partnerID=MN8TOARS.
    10.1038/s41567-021-01355-4
  16. Cardona-Serra, S.; Rosaleny, L.E.; Giménez-Santamarina, S.; Martínez-Gil, L.; Gaita-Ariño, A.. "Towards peptide-based tunable multistate memristive materials". Physical Chemistry Chemical Physics 23 3 (2021): 1802-1810. http://www.scopus.com/inward/record.url?eid=2-s2.0-85100275310&partnerID=MN8TOARS.
    10.1039/d0cp05236a
  17. Blockmon, A.L.; Ullah, A.; Hughey, K.D.; Duan, Y.; O'Neal, K.R.; Ozerov, M.; Baldoví, J.J.; et al. "Spectroscopic Analysis of Vibronic Relaxation Pathways in Molecular Spin Qubit [Ho(W5O18)2]9-: Sparse Spectra Are Key". Inorganic Chemistry 60 18 (2021): 14096-14104. http://www.scopus.com/inward/record.url?eid=2-s2.0-85114441304&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.1c01474
  18. Torres-Cavanillas, R.; Escorcia-Ariza, G.; Brotons-Alcázar, I.; Sanchis-Gual, R.; Mondal, P.C.; Rosaleny, L.E.; Giménez-Santamarina, S.; et al. "Erratum: Reinforced Room-Temperature Spin Filtering in Chiral Paramagnetic Metallopeptides (J. Am. Chem. Soc. (2020) 142:41 (17572-17580) DOI: 10.1021/jacs.0c07531)". Journal of the American Chemical Society 143 34 (2021): 14022-14022. http://www.scopus.com/inward/record.url?eid=2-s2.0-85114322652&partnerID=MN8TOARS.
    10.1021/jacs.1c08093
  19. Escalera-Moreno, L.; Baldoví, J.J.; Gaita-Ariño, A.; Coronado, E.. "Design of high-temperature: F -block molecular nanomagnets through the control of vibration-induced spin relaxation". Chemical Science 11 6 (2020): 1593-1598. http://www.scopus.com/inward/record.url?eid=2-s2.0-85079575202&partnerID=MN8TOARS.
    10.1039/c9sc03133b
  20. Giménez-Santamarina, S.; Cardona-Serra, S.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Coronado, E.. "Exploiting clock transitions for the chemical design of resilient molecular spin qubits". Chemical Science 11 39 (2020): 10718-10728. http://www.scopus.com/inward/record.url?eid=2-s2.0-85089262893&partnerID=MN8TOARS.
    10.1039/d0sc01187h
  21. Torres-Cavanillas, R.; Escorcia-Ariza, G.; Brotons-Alcázar, I.; Sanchis-Gual, R.; Mondal, P.C.; Rosaleny, L.E.; Giménez-Santamarina, S.; et al. "Reinforced Room-Temperature Spin Filtering in Chiral Paramagnetic Metallopeptides". Journal of the American Chemical Society 142 41 (2020): 17572-17580. http://www.scopus.com/inward/record.url?eid=2-s2.0-85092944013&partnerID=MN8TOARS.
    10.1021/jacs.0c07531
  22. Gaita-Ariño, A.; Luis, F.; Hill, S.; Coronado, E.. "Molecular spins for quantum computation". Nature Chemistry 11 4 (2019): 301-309. http://www.scopus.com/inward/record.url?eid=2-s2.0-85063354756&partnerID=MN8TOARS.
    10.1038/s41557-019-0232-y
  23. Escalera-Moreno, L.; Baldoví, J.J.; Gaita-Ariño, A.; Coronado, E.. "Exploring the High-Temperature Frontier in Molecular Nanomagnets: From Lanthanides to Actinides". Inorganic Chemistry 58 18 (2019): 11883-11892. http://www.scopus.com/inward/record.url?eid=2-s2.0-85072233780&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.9b01610
  24. Rosaleny, L.E.; Zinovjev, K.; Tuñón, I.; Gaita-Ariño, A.. "A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules". Physical Chemistry Chemical Physics 21 21 (2019): 10908-10913. http://www.scopus.com/inward/record.url?eid=2-s2.0-85066738946&partnerID=MN8TOARS.
    10.1039/c9cp01909j
  25. Zhang, Q.; Baker, M.L.; Li, S.; Sarachik, M.P.; Baldoví, J.J.; Gaita-Ariño, A.; Coronado, E.; Alexandropoulos, D.I.; Stamatatos, T.C.. "Experimental determination of single molecule toroic behaviour in a Dy8 single molecule magnet". Nanoscale 11 32 (2019): 15131-15138. http://www.scopus.com/inward/record.url?eid=2-s2.0-85070784517&partnerID=MN8TOARS.
    10.1039/c9nr05182a
  26. Giménez-Santamarina, S.; Cardona-Serra, S.; Gaita-Ariño, A.. "Theoretical insights on the importance of anchoring vs molecular geometry in magnetic molecules acting as junctions". Journal of Magnetism and Magnetic Materials 485 (2019): 212-216. http://www.scopus.com/inward/record.url?eid=2-s2.0-85066158809&partnerID=MN8TOARS.
    10.1016/j.jmmm.2019.04.066
  27. Escalera-Moreno, L.; Gaita-Ariño, A.; Coronado, E.. "Decoherence from dipolar interspin interactions in molecular spin qubits". Physical Review B 100 6 (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85070652098&partnerID=MN8TOARS.
    10.1103/PhysRevB.100.064405
  28. Ullah, A.; Cerdá, J.; Baldoví, J.J.; Varganov, S.A.; Aragó, J.; Gaita-Ariño, A.. "In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations". Journal of Physical Chemistry Letters 10 24 (2019): 7678-7683. http://www.scopus.com/inward/record.url?eid=2-s2.0-85076247621&partnerID=MN8TOARS.
    10.1021/acs.jpclett.9b02982
  29. Carrasco, J.A.; Cardona-Serra, S.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Abellán, G.; Coronado, E.. "Deciphering the Role of Dipolar Interactions in Magnetic Layered Double Hydroxides". Inorganic Chemistry 57 4 (2018): 2013-2022. http://www.scopus.com/inward/record.url?eid=2-s2.0-85042220702&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.7b02928
  30. Rosaleny, L.E.; Cardona-Serra, S.; Escalera-Moreno, L.; Baldoví, J.J.; Gol¿biewska, V.; Wlazlo, K.; Casino, P.; et al. "Peptides as Versatile Platforms for Quantum Computing". Journal of Physical Chemistry Letters 9 16 (2018): 4522-4526. http://www.scopus.com/inward/record.url?eid=2-s2.0-85050730116&partnerID=MN8TOARS.
    10.1021/acs.jpclett.8b01813
  31. Cardona-Serra, S.; Gaita-Ariño, A.. "Vanadyl dithiolate single molecule transistors: The next spintronic frontier?". Dalton Transactions 47 16 (2018): 5533-5537. http://www.scopus.com/inward/record.url?eid=2-s2.0-85045885495&partnerID=MN8TOARS.
    10.1039/c8dt00139a
  32. Escalera-Moreno, L.; Baldoví, J.J.; Gaita-Ariño, A.; Coronado, E.. "Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: A critical perspective". Chemical Science 9 13 (2018): 3265-3275. http://www.scopus.com/inward/record.url?eid=2-s2.0-85044718345&partnerID=MN8TOARS.
    10.1039/c7sc05464e
  33. Cardona-Serra, S.; Gaita-ArinÌo, A.; Navarro-Moratalla, E.; Sanvito, S.. "Proposal for a Dual Spin Filter Based on [VO(C3S4O)2]2-". Journal of Physical Chemistry C 122 11 (2018): 6417-6421. http://www.scopus.com/inward/record.url?eid=2-s2.0-85044398702&partnerID=MN8TOARS.
    10.1021/acs.jpcc.7b12477
  34. Canon-Mancisidor, W.; Miralles, S.G.; Baldoví, J.J.; Espallargas, G.M.; Gaita-Arinio, A.; Coronado, E.. "Sublimable Single Ion Magnets Based on Lanthanoid Quinolinate Complexes: The Role of Intermolecular Interactions on Their Thermal Stability". Inorganic Chemistry 57 22 (2018): 14170-14177. http://www.scopus.com/inward/record.url?eid=2-s2.0-85056150835&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.8b02080
  35. Cardona-Serra, S.; Gaita-Ariño, A.; Stamenova, M.; Sanvito, S.. "Theoretical Evaluation of [VIV(a-C3S5)3]2- as Nuclear-Spin-Sensitive Single-Molecule Spin Transistor". Journal of Physical Chemistry Letters 8 13 (2017): 3056-3060. http://www.scopus.com/inward/record.url?eid=2-s2.0-85022195909&partnerID=MN8TOARS.
    10.1021/acs.jpclett.7b01376
  36. Escalera-Moreno, L.; Suaud, N.; Gaita-Ariño, A.; Coronado, E.. "Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets". Journal of Physical Chemistry Letters 8 7 (2017): 1695-1700. http://www.scopus.com/inward/record.url?eid=2-s2.0-85016934072&partnerID=MN8TOARS.
    10.1021/acs.jpclett.7b00479
  37. Jenkins, M.D.; Duan, Y.; Diosdado, B.; García-Ripoll, J.J.; Gaita-Ariño, A.; Giménez-Saiz, C.; Alonso, P.J.; Coronado, E.; Luis, F.. "Coherent manipulation of three-qubit states in a molecular single-ion magnet". Physical Review B 95 6 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85014525016&partnerID=MN8TOARS.
    10.1103/PhysRevB.95.064423
  38. Miralles, S.G.; Bedoya-Pinto, A.; Baldoví, J.J.; Cañon-Mancisidor, W.; Prado, Y.; Prima-Garcia, H.; Gaita-Ariño, A.; et al. "Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes". Chemical Science 9 1 (2017): 199-208. http://www.scopus.com/inward/record.url?eid=2-s2.0-85039150055&partnerID=MN8TOARS.
    10.1039/c7sc03463f
  39. Palii, A.; Aldoshin, S.; Tsukerblat, B.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Coronado, E.. "Electric field controllable magnetic coupling of localized spins mediated by itinerant electrons: A toy model". Physical Chemistry Chemical Physics 19 38 (2017): 26098-26106. http://www.scopus.com/inward/record.url?eid=2-s2.0-85030724707&partnerID=MN8TOARS.
    10.1039/c7cp03872k
  40. Lim, K.S.; Baldoví, J.J.; Jiang, S.; Koo, B.H.; Kang, D.W.; Lee, W.R.; Koh, E.K.; et al. "Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets". Inorganic Chemistry 56 9 (2017): 4911-4917. http://www.scopus.com/inward/record.url?eid=2-s2.0-85018984560&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.6b03118
  41. Cardona-Serra, S.; Escalera-Moreno, L.; Baldoví, J.J.; Gaita-Ariño, A.; Clemente-Juan, J.M.; Coronado, E.. "SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence". Journal of Computational Chemistry 37 13 (2016): 1238-1244. http://www.scopus.com/inward/record.url?eid=2-s2.0-84957584650&partnerID=MN8TOARS.
    10.1002/jcc.24313
  42. Gaita-Ariño, A.; Prima-García, H.; Cardona-Serra, S.; Escalera-Moreno, L.; Rosaleny, L.E.; Baldoví, J.J.. "Coherence and organisation in lanthanoid complexes: From single ion magnets to spin qubits". Inorganic Chemistry Frontiers 3 5 (2016): 568-577. http://www.scopus.com/inward/record.url?eid=2-s2.0-84971344204&partnerID=MN8TOARS.
    10.1039/c5qi00296f
  43. Shiddiq, M.; Komijani, D.; Duan, Y.; Gaita-Ariño, A.; Coronado, E.; Hill, S.. "Enhancing coherence in molecular spin qubits via atomic clock transitions". Nature 531 7594 (2016): 348-351. http://www.scopus.com/inward/record.url?eid=2-s2.0-84968886475&partnerID=MN8TOARS.
    10.1038/nature16984
  44. Lim, K.S.; Baldoví, J.J.; Lee, W.R.; Song, J.H.; Yoon, S.W.; Suh, B.J.; Coronado, E.; Gaita-Ariño, A.; Hong, C.S.. "Switching of Slow Magnetic Relaxation Dynamics in Mononuclear Dysprosium(III) Compounds with Charge Density". Inorganic Chemistry 55 11 (2016): 5398-5404. http://www.scopus.com/inward/record.url?eid=2-s2.0-84973343763&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.6b00410
  45. Rosaleny, L.E.; Gaita-Ariño, A.. "Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits". Inorganic Chemistry Frontiers 3 1 (2016): 61-66. http://www.scopus.com/inward/record.url?eid=2-s2.0-84954290869&partnerID=MN8TOARS.
    10.1039/c5qi00127g
  46. Baldoví, J.J.; Duan, Y.; Bustos, C.; Cardona-Serra, S.; Gouzerh, P.; Villanneau, R.; Gontard, G.; et al. "Single ion magnets based on lanthanoid polyoxomolybdate complexes". Dalton Transactions 45 42 (2016): 16653-16660. http://www.scopus.com/inward/record.url?eid=2-s2.0-84992753694&partnerID=MN8TOARS.
    10.1039/c6dt02258h
  47. González-Albuixech, V.F.; Gaita-Ariño, A.. "Erratum to: Inexpensive discrete atomistic model technique for studying excitations on infinite disordered media: The case of orientational glass ArN2 (International Journal for Numerical Methods in Engineering (2015), 103, 7, (535-546) 10.1111/nme.4917)". International Journal for Numerical Methods in Engineering 107 12 (2016): 1080-1080. http://www.scopus.com/inward/record.url?eid=2-s2.0-84982103453&partnerID=MN8TOARS.
    10.1002/nme.5334
  48. Baldoví, J.J.; Duan, Y.; Morales, R.; Gaita-Ariño, A.; Ruiz, E.; Coronado, E.. "Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models". Chemistry - A European Journal 22 38 (2016): 13532-13539. http://www.scopus.com/inward/record.url?eid=2-s2.0-84979671299&partnerID=MN8TOARS.
    10.1002/chem.201601741
  49. Monteiro, B.; Coutinho, J.T.; Pereira, C.C.L.; Pereira, L.C.J.; Marçalo, J.; Almeida, M.; Baldoví, J.J.; Coronado, E.; Gaita-Ariño, A.. "Magnetic properties of the layered lanthanide hydroxide series YxDy8-x(OH)20Cl4·6H2O: From single ion magnets to 2d and 3d interaction effects". Inorganic Chemistry 54 4 (2015): 1949-1957. http://www.scopus.com/inward/record.url?eid=2-s2.0-84923170158&partnerID=MN8TOARS.
    10.1021/ic502839c
  50. Qian, K.; Baldoví, J.J.; Jiang, S.-D.; Gaita-Ariño, A.; Zhang, Y.-Q.; Overgaard, J.; Wang, B.-W.; Coronado, E.; Gao, S.. "Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?". Chemical Science 6 8 (2015): 4587-4593. http://www.scopus.com/inward/record.url?eid=2-s2.0-84937157004&partnerID=MN8TOARS.
    10.1039/c5sc01245g
  51. Baldoví, J.J.; Gaita-Ariño, A.; Coronado, E.. "Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number". Dalton Transactions 44 28 (2015): 12535-12538. http://www.scopus.com/inward/record.url?eid=2-s2.0-84936880859&partnerID=MN8TOARS.
    10.1039/c5dt01839k
  52. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Escalera-Moreno, L.; Gaita-Ariño, A.; Mínguez Espallargas, G.. "Quantum Error Correction with magnetic molecules". EPL 110 3 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84934882093&partnerID=MN8TOARS.
    10.1209/0295-5075/110/33001
  53. González-Albuixech, V.F.; Gaita-Ariño, A.. "Inexpensive discrete atomistic model technique for studying excitations on infinite disordered media: The case of orientational glass ArN2". International Journal for Numerical Methods in Engineering 103 7 (2015): 535-546. http://www.scopus.com/inward/record.url?eid=2-s2.0-84936189578&partnerID=MN8TOARS.
    10.1002/nme.4917
  54. Baldoví, J.J.; Rosaleny, L.E.; Ramachandran, V.; Christian, J.; Dalal, N.S.; Clemente-Juan, J.M.; Yang, P.; et al. "Molecular spin qubits based on lanthanide ions encapsulated in cubic polyoxopalladates: design criteria to enhance quantum coherence". Inorganic Chemistry Frontiers 2 10 (2015): 893-897. http://www.scopus.com/inward/record.url?eid=2-s2.0-84942779322&partnerID=MN8TOARS.
    10.1039/c5qi00142k
  55. Antunes, M.A.; Coutinho, J.T.; Santos, I.C.; Marçalo, J.; Almeida, M.; Baldoví, J.J.; Pereira, L.C.J.; Gaita-Ariño, A.; Coronado, E.. "A Mononuclear Uranium(IV) Single-Molecule Magnet with an Azobenzene Radical Ligand". Chemistry - A European Journal 21 49 (2015): 17817-17826. http://www.scopus.com/inward/record.url?eid=2-s2.0-84948678511&partnerID=MN8TOARS.
    10.1002/chem.201503133
  56. Gaita-Arino, A.; Gonznlez-Albuixech, V.F.; Schechter, M.. "Inversion symmetric vs. asymmetric excitations and the low-temperature universal properties of Ar:N2 and Ar:N2:CO glasses". EPL 109 5 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84925432547&partnerID=MN8TOARS.
    10.1209/0295-5075/109/56001
  57. Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariço, A.; Suaud, N.; Svoboda, O.; Bastardis, R.; Guihéry, N.; Palacios, J.J.. "Electrically switchable magnetic molecules: Inducing a magnetic coupling by means of an external electric field in a mixed-valence polyoxovanadate cluster". Chemistry - A European Journal 21 2 (2015): 763-769. http://www.scopus.com/inward/record.url?eid=2-s2.0-84920124374&partnerID=MN8TOARS.
    10.1002/chem.201404055
  58. Baldoví, J.J.; Clemente-Juan, J.M.; Coronado, E.; Duan, Y.; Gaita-Ariño, A.; Giménez-Saiz, C.. "Construction of a general library for the rational design of nanomagnets and spin qubits based on mononuclear f.block complexes. The polyoxometalate case". Inorganic Chemistry 53 18 (2014): 9976-9980. http://www.scopus.com/inward/record.url?eid=2-s2.0-84919752645&partnerID=MN8TOARS.
    10.1021/ic501867d
  59. Baldoví, J.J.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Palii, A.. "An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters". Journal of Computational Chemistry 35 26 (2014): 1930-1934. http://www.scopus.com/inward/record.url?eid=2-s2.0-84906951132&partnerID=MN8TOARS.
    10.1002/jcc.23699
  60. Baldoví, J.J.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Molecular anisotropy analysis of single-ion magnets using an effective electrostatic model". Inorganic Chemistry 53 20 (2014): 11323-11327. http://www.scopus.com/inward/record.url?eid=2-s2.0-84908248178&partnerID=MN8TOARS.
    10.1021/ic5020253
  61. Baldoví, J.J.; Coronado, E.; Gaita-Ariño, A.; Gamer, C.; Giménez-Marqués, M.; Mínguez Espallargas, G.. "A SIM-MOF: Three-dimensional organisation of single-ion magnets with anion-exchange capabilities". Chemistry - A European Journal 20 34 (2014): 10695-10702. http://www.scopus.com/inward/record.url?eid=2-s2.0-84905983051&partnerID=MN8TOARS.
    10.1002/chem.201402255
  62. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Modeling the properties of uranium-based single ion magnets". Chemical Science 4 3 (2013): 938-946. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876703392&partnerID=MN8TOARS.
    10.1039/c2sc21490c
  63. Cardona-Serra, S.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Suaud, N.; Svoboda, O.; Coronado, E.. "Modelling electric field control of the spin state in the mixed-valence polyoxometalate [GeV14O40]8-". Chemical Communications 49 83 (2013): 9621-9623. http://www.scopus.com/inward/record.url?eid=2-s2.0-84884633542&partnerID=MN8TOARS.
    10.1039/c3cc44859b
  64. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Palii, A.. "SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions". Journal of Computational Chemistry 34 22 (2013): 1961-1967. http://www.scopus.com/inward/record.url?eid=2-s2.0-84880134886&partnerID=MN8TOARS.
    10.1002/jcc.23341
  65. Baldoví, J.J.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Two pyrazolylborate dysprosium(III) and neodymium(III) single ion magnets modeled by a Radial Effective Charge approach". Polyhedron 66 (2013): 39-42. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887447038&partnerID=MN8TOARS.
    10.1016/j.poly.2013.01.034
  66. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Prima-García, H.. "Erratum: Coherent manipulation of spin qubits based on polyoxometalates: The case of the single ion magnet [GdW30P5O 110]14- (Chemical Communications (2013) DOI: 10.1039/C3CC44838J)". Chemical Communications 49 100 (2013): 11826-11826. http://www.scopus.com/inward/record.url?eid=2-s2.0-84888252601&partnerID=MN8TOARS.
    10.1039/C3CC90365F
  67. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Prima-García, H.. "Coherent manipulation of spin qubits based on polyoxometalates: The case of the single ion magnet [GdW30P5O110] 14-". Chemical Communications 49 79 (2013): 8922-8924. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883870901&partnerID=MN8TOARS.
    10.1039/c3cc44838j
  68. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Magnetic polyoxometalates: From molecular magnetism to molecular spintronics and quantum computing". Chemical Society Reviews 41 22 (2012): 7464-7478. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866390601&partnerID=MN8TOARS.
    10.1039/c2cs35205b
  69. Bosch-Serrano, C.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Palii, A.; Tsukerblat, B.. "Electric field control of the spin state in mixed-valence magnetic molecules". ChemPhysChem 13 11 (2012): 2662-2665. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864398701&partnerID=MN8TOARS.
    10.1002/cphc.201200383
  70. Baldoví, J.J.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Palii, A.. "Rational design of single-ion magnets and spin qubits based on mononuclear lanthanoid complexes". Inorganic Chemistry 51 22 (2012): 12565-12574. http://www.scopus.com/inward/record.url?eid=2-s2.0-84869432228&partnerID=MN8TOARS.
    10.1021/ic302068c
  71. Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Camón, A.; Evangelisti, M.; Luis, F.; Martínez-Pérez, M.J.; Sesé, J.. "Lanthanoid single-ion magnets based on polyoxometalates with a 5-fold symmetry: The series [LnP 5W 30O 110] 12- (Ln 3+ = Tb, Dy, Ho, Er, Tm, and Yb)". Journal of the American Chemical Society 134 36 (2012): 14982-14990. http://www.scopus.com/inward/record.url?eid=2-s2.0-84866374332&partnerID=MN8TOARS.
    10.1021/ja305163t
  72. Baldoví, J.J.; Borrás-Almenar, J.J.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Modeling the properties of lanthanoid single-ion magnets using an effective point-charge approach". Dalton Transactions 41 44 (2012): 13705-13710. http://www.scopus.com/inward/record.url?eid=2-s2.0-84869427348&partnerID=MN8TOARS.
    10.1039/c2dt31411h
  73. Tsukerblat, B.; Palii, A.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Coronado, E.. "A symmetry adapted approach to the dynamic Jahn-Teller problem: Application to mixed-valence polyoxometalate clusters with keggin structure". International Journal of Quantum Chemistry 112 17 (2012): 2957-2964. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864482408&partnerID=MN8TOARS.
    10.1002/qua.24152
  74. Ghosh, S.; Datta, S.; Friend, L.; Cardona-Serra, S.; Gaita-Ariño, A.; Coronado, E.; Hill, S.. "Multi-frequency EPR studies of a mononuclear holmium single-molecule magnet based on the polyoxometalate [HoIII(W5O 18)2]9-". Dalton Transactions 41 44 (2012): 13697-13704. http://www.scopus.com/inward/record.url?eid=2-s2.0-84869410756&partnerID=MN8TOARS.
    10.1039/c2dt31674a
  75. Bosch-Serrano, C.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Palii, A.; Tsukerblat, B.. "Molecular analog of multiferroics: Electric and magnetic field effects in many-electron mixed-valence dimers". Physical Review B - Condensed Matter and Materials Physics 86 2 (2012): http://www.scopus.com/inward/record.url?eid=2-s2.0-84864486976&partnerID=MN8TOARS.
    10.1103/PhysRevB.86.024432
  76. Martínez-Pérez, M.J.; Cardona-Serra, S.; Schlegel, C.; Moro, F.; Alonso, P.J.; Prima-García, H.; Clemente-Juan, J.M.; et al. "Gd-based single-ion magnets with tunable magnetic anisotropy: Molecular design of spin qubits". Physical Review Letters 108 24 (2012): http://www.scopus.com/inward/record.url?eid=2-s2.0-84862544677&partnerID=MN8TOARS.
    10.1103/PhysRevLett.108.247213
  77. Palii, A.; Tsukerblat, B.; Clemente-Juan, J.M.; Gaita-Ariño, A.; Coronado, E.. "Manipulation of the spin in single molecule magnets via Landau-Zener transitions". Physical Review B - Condensed Matter and Materials Physics 84 18 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-82455220805&partnerID=MN8TOARS.
    10.1103/PhysRevB.84.184426
  78. Gaita-Ariño, A.; Schechter, M.. "Identification of strong and weak interacting two-level systems in KBr:CN". Physical Review Letters 107 10 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-80052390303&partnerID=MN8TOARS.
    10.1103/PhysRevLett.107.105504
  79. Clemente-Juan, J.M.; Coronado, E.; Forment-Aliaga, A.; Gaita-Ariño, A.; Giménez-Saiz, C.; Romero, F.M.; Wernsdorfer, W.; Biagi, R.; Corradini, V.. "Electronic and magnetic study of polycationic Mn12 single-molecule magnets with a ground spin state S = 11". Inorganic Chemistry 49 2 (2010): 386-396. http://www.scopus.com/inward/record.url?eid=2-s2.0-74549210558&partnerID=MN8TOARS.
    10.1021/ic901824d
  80. Lehmann, J.; Gaita-Ariño, A.; Coronado, E.; Loss, D.. "Quantum computing with molecular spin systems". Journal of Materials Chemistry 19 12 (2009): 1672-1677. http://www.scopus.com/inward/record.url?eid=2-s2.0-62149132968&partnerID=MN8TOARS.
    10.1039/b810634g
  81. AlDamen, M.A.; Cardona-Serra, S.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Martí-Gastaldo, C.; Luis, F.; Montero, O.. "Mononuclear lanthanide single molecule magnets based on the polyoxometalates [Ln(W5O18)2]9- and [Ln(ß2-SiW11O39)2]13- (LnIII ) Tb, Dy, Ho, Er, Tm, and Yb)". Inorganic Chemistry 48 8 (2009): 3467-3479. http://www.scopus.com/inward/record.url?eid=2-s2.0-65349092297&partnerID=MN8TOARS.
    10.1021/ic801630z
  82. Stamp, P.C.E.; Gaita-Ariño, A.. "Spin-based quantum computers made by chemistry: Hows and whys". Journal of Materials Chemistry 19 12 (2009): 1718-1730. http://www.scopus.com/inward/record.url?eid=2-s2.0-62149108149&partnerID=MN8TOARS.
    10.1039/b811778k
  83. Calzado, C.J.; Clemente-Juan, J.M.; Coronado, E.; Gaita-Arino, A.; Suaud, N.. "Role of the electron transfer and magnetic exchange interactions in the magnetic properties of mixed-valence polyoxovanadate complexes". Inorganic Chemistry 47 13 (2008): 5889-5901. http://www.scopus.com/inward/record.url?eid=2-s2.0-47949128318&partnerID=MN8TOARS.
    10.1021/ic8002355
  84. AlDamen, M.A.; Clemente-Juan, J.M.; Coronado, E.; Martí-Gastaldo, C.; Gaita-Ariño, A.. "Mononuclear lanthanide single-molecule magnets based on polyoxometalates". Journal of the American Chemical Society 130 28 (2008): 8874-8875. http://www.scopus.com/inward/record.url?eid=2-s2.0-48949118184&partnerID=MN8TOARS.
    10.1021/ja801659m
  85. Lehmann, J.; Gaita-Arino, A.; Coronado, E.; Loss, D.. "Spin qubits with electrically gated polyoxometalate molecules". Nature Nanotechnology 2 5 (2007): 312-317. http://www.scopus.com/inward/record.url?eid=2-s2.0-34250010358&partnerID=MN8TOARS.
    10.1038/nnano.2007.110
  86. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Suaud, N.. "Mixed-valence polyoxometalates: Spin-coupling and electron distribution in the decawolframate anion reduced by two electrons". Journal of Physical Chemistry A 111 39 (2007): 9969-9977. http://www.scopus.com/inward/record.url?eid=2-s2.0-35348988623&partnerID=MN8TOARS.
    10.1021/jp073433y
  87. Tong, M.-L.; Hong, C.-G.; Zheng, L.-L.; Peng, M.-X.; Gaita-Arino, A.; Juan, M.C.. "New reactivity of 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole: Synthesis and structure of a mononuclear species, a dinuclear species, and a novel tetranuclear nickel(II) rectangle box, and magnetic properties of the dinuclear and tetranuclear complexes". European Journal of Inorganic Chemistry 23 (2007): 3710-3717. http://www.scopus.com/inward/record.url?eid=2-s2.0-34548094627&partnerID=MN8TOARS.
    10.1002/ejic.200700297
  88. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Giménez-Saiz, C.; Gudel, H.-U.; Sieber, A.; Bircher, R.; Mutka, H.. "Magnetic polyoxometalates: Anisotropie exchange interactions in the Co 3II moiety of [(NaOH2)Co3(H 2O)(P2W15O56)2] 17-". Inorganic Chemistry 44 10 (2005): 3389-3395. http://www.scopus.com/inward/record.url?eid=2-s2.0-19944399113&partnerID=MN8TOARS.
    10.1021/ic048552w
  89. Suaud, N.; Gaita-Ariño, A.; Clemente-Juan, J.M.; Coronado, E.. "Electron delocalization and electrostatic repulsion at the origin of the strong spin coupling in mixed-valence keggin polyoxometalates: Ab initio calculations of the one- and two-electron processes". Chemistry - A European Journal 10 16 (2004): 4041-4053. http://www.scopus.com/inward/record.url?eid=2-s2.0-4444240936&partnerID=MN8TOARS.
    10.1002/chem.200305628
  90. Coronado, E.; Forment-Aliaga, A.; Gaita-Ariño, A.; Giménez-Saiz, C.; Romero, F.M.; Wernsdorfer, W.. "Polycationic Mn12 single-molecule magnets as electron reservoirs with S > 10 ground states". Angewandte Chemie - International Edition 43 45 (2004): 6152-6156. http://www.scopus.com/inward/record.url?eid=2-s2.0-10044256465&partnerID=MN8TOARS.
    10.1002/anie.200460282
  91. Forment-Aliaga, A.; Coronado, E.; Feliz, M.; Gaita-Ariño, A.; Llusar, R.; Romero, F.M.. "Cationic Mn12 Single-Molecule Magnets and Their Polyoxometalate Hybrid Salts". Inorganic Chemistry 42 24 (2003): 8019-8027. http://www.scopus.com/inward/record.url?eid=2-s2.0-0344442665&partnerID=MN8TOARS.
    10.1021/ic034407r
  92. Suaud, N.; Gaita-Ariño, A.; Clemente-Juan, J.M.; Sánchez-Marín, J.; Coronado, E.. "Ab initio calculations of the transfer parameters and coulombic repulsion and estimation of their effects on the electron delocalization and magnetic coupling in mixed-valence Keggin polyoxotungstates". Polyhedron 22 14-17 (2003): 2331-2337. http://www.scopus.com/inward/record.url?eid=2-s2.0-0042371526&partnerID=MN8TOARS.
    10.1016/S0277-5387(03)00307-3
  93. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.; Giménez-Saiz, C.; Chaboussant, G.; Güdel, H.-U.; Burriel, R.; Mutka, H.. "Magnetism in polyoxometalates: Anisotropic exchange interactions in the Co3ii moiety of [Co3W(D2O)2)(ZnW9 O34)12- - A magnetic and inelastic neutron scattering study". Chemistry - A European Journal 8 24 (2002): 5701-5708. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037122028&partnerID=MN8TOARS.
    10.1002/1521-3765(20021216)8:24<5701::AID-CHEM5701>3.0.CO;2-T
  94. Suaud, N.; Gaita-Ariño, A.; Clemente-Juan, J.M.; Sánchez-Marín, J.; Coronado, E.. "Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequences on the spin coupling". Journal of the American Chemical Society 124 50 (2002): 15134-15140. http://www.scopus.com/inward/record.url?eid=2-s2.0-0037132645&partnerID=MN8TOARS.
    10.1021/ja027806e
Capítulo de livro
  1. Baldoví, J.J.; Cardona-Serra, S.; Gaita-Ariño, A.; Coronado, E.. "Design of Magnetic Polyoxometalates for Molecular Spintronics and as Spin Qubits". 213-249. 2017.
    10.1016/bs.adioch.2016.12.003
  2. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "Mononuclear Lanthanide Complexes: Use of the Crystal Field Theory to Design Single-Ion Magnets and Spin Qubits". 27-60. 2015.
  3. Clemente-Juan, J.M.; Coronado, E.; Gaita-Ariño, A.. "MAGNETIC POLYOXOMETALATES". 155-171. 2013.
    10.1142/9789814458986_0004

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