All Stories

  1. Room Temperature Spin‐Dependent Transport in 2D Hofmann‐Type Single‐Layer Network

    Article • Small, October 2025, Wiley

    Professor Eliseo Ruiz Sabín

  2. Benchmarking Molecular and Periodic Extended Tight Binding Methods for Spin-State Energies in Spin-Crossover Systems

    Article • The Journal of Physical Chemistry C, February 2025, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  3. A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation

    Article • Digital Discovery, January 2025, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  4. An air-stable high-performance single-molecule magnet operating as a luminescent thermometer below its blocking temperature

    Article • Inorganic Chemistry Frontiers, January 2025, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  5. Determining the zero-field cooling/field cooling blocking temperature from AC susceptibility data for single-molecule magnets

    Article • Inorganic Chemistry Frontiers, January 2025, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  6. Exploring hyperfine coupling in molecular qubits

    Article • Chemical Science, January 2025, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  7. Engineering Mononuclear Ln(III) Complexes with a Pseudo-Macrocyclic Hexadentate N4O2 Schiff Base Ligand Exhibiting Slow Magnetic Relaxation

    Article • Magnetochemistry, December 2024, MDPI AG

    Professor Eliseo Ruiz Sabín

  8. Ionic 2D Materials

    Article • ECS Meeting Abstracts, August 2024, The Electrochemical Society

    Professor Eliseo Ruiz Sabín

  9. Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems

    Article • Inorganic Chemistry, July 2024, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  10. Electrostatic catalysis of a click reaction in a microfluidic cell

    Article • Nature Communications, January 2024, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  11. Rationalizing the carborane versus phenyl-driven luminescence in related dicarboxylic ligands and their antenna effect for their Eu3+ and Tb3+ metal–organic frameworks: a combined experimental and computational study

    Article • Journal of Materials Chemistry C, January 2024, Royal Society of Chemistry

    Prof. Dr Clara Viñas i Teixidor, Professor Eliseo Ruiz Sabín

  12. Accurate state energetics in spin-crossover systems using pure density functional theory

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  13. Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions

    Article • Chemical Science, January 2024, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  14. Phase-dependent polymerization isomerism in the coordination complexes of a flexible bis(β-diketonato) ligand

    Article • Dalton Transactions, January 2024, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  15. Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets

    Article • Angewandte Chemie, September 2023, Wiley

    Professor Eliseo Ruiz Sabín

  16. Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets

    Article • Angewandte Chemie, September 2023, Wiley

    Professor Eliseo Ruiz Sabín

  17. Synthesis and characterization of highly diluted polyanionic iron(II) spin crossover systems

    Article • STAR Protocols, September 2023, Elsevier

    Professor Eliseo Ruiz Sabín

  18. Lead-sulfur interaction induced damp and water stability in pure formamidinium lead triiodide

    Article • Cell Reports Physical Science, August 2023, Elsevier

    Professor Eliseo Ruiz Sabín

  19. Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic Anisotropy─Theory and Experiment

    Article • Inorganic Chemistry, April 2023, American Chemical Society (ACS)

    Professor Annie Powell, Professor Eliseo Ruiz Sabín

  20. Molecular memory near room temperature in an iron polyanionic complex

    Article • Chem, February 2023, Elsevier

    Professor Eliseo Ruiz Sabín

  21. Improving spin crossover characteristics in heteroleptic [FeIII(qsal-5-I)(qsal-5-OMe)]A complexes

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Dr David J. Harding, Professor Eliseo Ruiz Sabín

  22. Elucidating the exchange interactions in a {GdIIICuII4} propellor

    Article • Dalton Transactions, January 2023, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  23. Theoretical Approaches for Electron Transport Through Magnetic Molecules

    Article • January 2023, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  24. Dielectric behavior of curcuminoid polymorphs on different substrates by direct soft vacuum deposition

    Article • iScience, December 2022, Elsevier

    Professor Eliseo Ruiz Sabín

  25. Magnetoresistive Single‐Molecule Junctions: the Role of the Spinterface and the CISS Effect

    Article • Israel Journal of Chemistry, December 2022, Wiley

    Professor Eliseo Ruiz Sabín

  26. Redox-Programmable Spin-Crossover Behaviors in a Cationic Framework

    Article • Journal of the American Chemical Society, August 2022, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  27. Insights into the Spin Dynamics of Mononuclear Cerium(III) Single-Molecule Magnets

    Article • Inorganic Chemistry, July 2022, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  28. Dinuclear Fluoride Single-Bridged Lanthanoid Complexes as Molecule Magnets: Unprecedented Coupling Constant in a Fluoride-Bridged Gadolinium Compound

    Article • Inorganic Chemistry, June 2022, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  29. Water-Stable Carborane-Based Eu3+/Tb3+ Metal–Organic Frameworks for Tunable Time-Dependent Emission Color and Their Application in Anticounterfeiting Bar-Coding

    Article • Chemistry of Materials, April 2022, American Chemical Society (ACS)

    Prof. Dr Clara Viñas i Teixidor, Professor Eliseo Ruiz Sabín

  30. Structural and theoretical insights into solvent effects in an iron(iii) SCO complex

    Article • Inorganic Chemistry Frontiers, January 2022, Royal Society of Chemistry

    Dr David J. Harding, Professor Eliseo Ruiz Sabín

  31. Room‐Temperature Spin‐Dependent Transport in Metalloporphyrin‐Based Supramolecular Wires

    Article • Angewandte Chemie, November 2021, Wiley

    Professor Eliseo Ruiz Sabín

  32. Room‐Temperature Spin‐Dependent Transport in Metalloporphyrin‐Based Supramolecular Wires

    Article • Angewandte Chemie, November 2021, Wiley

    Professor Eliseo Ruiz Sabín

  33. Spin‐Phonon Coupling and Slow‐Magnetic Relaxation in Pristine Ferrocenium

    Article • Chemistry - A European Journal, October 2021, Wiley

    Professor Eliseo Ruiz Sabín

  34. Nickel(II) salicylaldiminates: Re-visiting a classic

    Article • Polyhedron, September 2021, Elsevier

    Dr David J. Harding, Professor Eliseo Ruiz Sabín

  35. Nickel(II) Salicylaldiminates: Re-Visiting a Classic

    Article • April 2021, American Chemical Society (ACS)

    Dr David J. Harding, Professor Eliseo Ruiz Sabín

  36. Experimental and Computational Studies on Quadruply Bonded Dimolybdenum Complexes with Terminal and Bridging Hydride Ligands

    Article • Chemistry - A European Journal, March 2021, Wiley

    Professor Eliseo Ruiz Sabín

  37. Molecular magnetic junction

    Article • Chemical Science, January 2021, Royal Society of Chemistry

    Dr David J. Harding, Professor Eliseo Ruiz Sabín

  38. Tuning the architectures and luminescence properties of Cu(i) compounds of phenyl and carboranyl pyrazoles: the impact of 2D versus 3D aromatic moieties in the ligand backbone

    Article • Journal of Materials Chemistry C, January 2021, Royal Society of Chemistry

    Prof. Dr Clara Viñas i Teixidor, Professor Eliseo Ruiz Sabín

  39. Magnetic anisotropy in YbIII complex candidates for molecular qubits: a theoretical analysis

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  40. Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: a Dy2single molecule magnet with a high energy barrier

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  41. Metal–Organic Nanocapsules with Functionalized s-Heptazine Ligands

    Article • Inorganic Chemistry, December 2020, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  42. Tuning Single‐Molecule Conductance in Metalloporphyrin‐Based Wires via Supramolecular Interactions

    Article • Angewandte Chemie, August 2020, Wiley

    Professor Eliseo Ruiz Sabín

  43. [Co/Fe(α-Alkyl-tpdt)2]x−: Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes

    Article • Inorganic Chemistry, June 2020, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  44. Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover Systems

    Article • The Journal of Physical Chemistry A, June 2020, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  45. Self‐Assembled, Highly Positively Charged, Allyl–Pd Crowns: Cavity‐Pocket‐Driven Interactions of Fluoroanions

    Article • Chemistry - A European Journal, June 2020, Wiley

    Professor Eliseo Ruiz Sabín

  46. Single-Molecule Transport of Fullerene-Based Curcuminoids

    Article • The Journal of Physical Chemistry C, January 2020, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  47. Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  48. Spin dynamics in single-molecule magnets and molecular qubits

    Article • Dalton Transactions, January 2020, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  49. [UF 6 ] 2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments

    Article • Angewandte Chemie, September 2019, Wiley

    Professor Eliseo Ruiz Sabín

  50. [UF6 ]2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments

    Article • Angewandte Chemie, September 2019, Wiley

    Professor Eliseo Ruiz Sabín

  51. [UF 6 ] 2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments

    Article • Angewandte Chemie, August 2019, Wiley

    Professor Eliseo Ruiz Sabín

  52. [UF6 ]2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments

    Article • Angewandte Chemie, August 2019, Wiley

    Professor Eliseo Ruiz Sabín

  53. Magnetization Slow Dynamics in Ferrocenium Complexes

    Article • Chemistry - A European Journal, July 2019, Wiley

    Professor Eliseo Ruiz Sabín

  54. Computational Modeling of Transition Temperatures in Spin-Crossover Systems

    Article • Comments on Inorganic Chemistry, May 2019, Taylor & Francis

    Professor Eliseo Ruiz Sabín

  55. Slow-spin relaxation of a low-spin S = 1/2 FeIII carborane complex

    Article • Chemical Communications, January 2019, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  56. Dinuclear CoIIYIIIvs. tetranuclear CoII2YIII2 complexes: the effect of increasing molecular size on magnetic anisotropy and relaxation dynamics

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  57. Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex

    Article • Dalton Transactions, January 2019, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  58. Control over Near-Ballistic Electron Transport through Formation of Parallel Pathways in a Single-Molecule Wire

    Article • Journal of the American Chemical Society, December 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  59. Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules

    Article • Inorganic Chemistry, November 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  60. Mononuclear Lanthanide Complexes with 18-Crown-6 Ether: Synthesis, Characterization, Magnetic Properties, and Theoretical Studies

    Article • Inorganic Chemistry, October 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  61. Boosting Self‐Assembly Diversity in the Solid‐State by Chiral/Non‐Chiral ZnII‐Porphyrin Crystallization

    Article • Chemistry - A European Journal, July 2018, Wiley

    Professor Eliseo Ruiz Sabín

  62. Element-Selective Molecular Charge Transport Characteristics of Binuclear Copper(II)-Lanthanide(III) Complexes

    Article • Inorganic Chemistry, July 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  63. Effect of Heteroatoms on Field-Induced Slow Magnetic Relaxation of Mononuclear FeIII (S = 5/2) Ions within Polyoxometalates

    Article • Inorganic Chemistry, June 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Kosuke Suzuki

  64. A Pseudo-Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero-Field Single-Molecule Magnet with Easy Axis Anisotropy

    Article • Chemistry - A European Journal, May 2018, Wiley

    Professor Eliseo Ruiz Sabín

  65. An Unprecedented Stimuli-Controlled Single-Crystal Reversible Phase Transition of a Metal-Organic Framework and Its Application to a Novel Method of Guest Encapsulation

    Article • Advanced Materials, May 2018, Wiley

    Professor Eliseo Ruiz Sabín

  66. Designing a Dy2 Single-Molecule Magnet with Two Well-Differentiated Relaxation Processes by Using a Nonsymmetric Bis-bidentate Bipyrimidine-N-Oxide Ligand: A Comparison with Mononuclear Counterparts

    Article • Inorganic Chemistry, May 2018, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  67. H‐Mediated Magnetic Interactions between Layers in a 2D MnII–Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations

    Article • European Journal of Inorganic Chemistry, January 2018, Wiley

    Professor Eliseo Ruiz Sabín

  68. Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  69. A simple Co(II) molecular switch

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín, Dr David J. Harding, Wasinee Phonsri

  70. Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds

    Article • Chemical Science, January 2018, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  71. Electronic and Steric Control of the Spin-Crossover Behavior in [(CpR)2Mn] Manganocenes

    Article • Inorganic Chemistry, December 2017, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  72. Antiferromagnetic Interactions in Copper(II) µ-Oxalato Dinuclear Complexes: The Role of the Counterion

    Article • European Journal of Inorganic Chemistry, December 2017, Wiley

    Professor Eliseo Ruiz Sabín

  73. H-Mediated Magnetic Interactions between Layers in a 2D MnII -Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations

    Article • European Journal of Inorganic Chemistry, November 2017, Wiley

    Professor Eliseo Ruiz Sabín

  74. Quantitative Estimation of Ising-Type Magnetic Anisotropy in a Family of C 3 -Symmetric CoII Complexes

    Article • Chemistry - A European Journal, August 2017, Wiley

    Professor Eliseo Ruiz Sabín

  75. Analysis of Magnetic Anisotropy and the Role of Magnetic Dilution in Triggering Single-Molecule Magnet (SMM) Behavior in a Family of CoII YIII Dinuclear Complexes with Easy-Plane Anisotropy

    Article • Chemistry - A European Journal, July 2017, Wiley

    Professor Eliseo Ruiz Sabín

  76. Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction

    Article • Inorganic Chemistry, July 2017, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  77. Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli

    Article • Journal of the American Chemical Society, June 2017, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  78. Influence of the Disposition of the Anisotropy Axes into the Magnetic Properties of MnIII Dinuclear Compounds with Benzoato Derivative Bridges

    Article • Inorganic Chemistry, June 2017, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  79. Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices

    Article • Journal of the American Chemical Society, March 2017, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  80. Models to predict the magnetic properties of single- and multiple-bridged phosphate CuII systems: a theoretical DFT insight

    Article • Inorganic Chemistry Frontiers, January 2017, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín, Professor Diego A Venegas-Yazigi

  81. Single-molecule magnetism arising from cobalt(ii) nodes of a crystalline sponge

    Article • Journal of Materials Chemistry C, January 2017, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  82. Coming full circle: constructing a [Gd6] wheel dimer by dimer and the importance of spin topology

    Article • Dalton Transactions, January 2017, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  83. Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal CoII single ion magnets

    Article • Chemical Communications, January 2017, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  84. Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations

    Article • Journal of the American Chemical Society, December 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  85. An Unsaturated Four-Coordinate Dimethyl Dimolybdenum Complex with a Molybdenum-Molybdenum Quadruple Bond

    Article • Chemistry - A European Journal, December 2016, Wiley

    Professor Eliseo Ruiz Sabín

  86. Predetermined Ferromagnetic Coupling via Strict Control of M–O–M Angles

    Article • Inorganic Chemistry, November 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  87. Antiferro- to ferromagnetic crossover in diphenoxido bridged NiII2MnII complexes derived from N2O2 donor Schiff base ligands

    Article • Polyhedron, October 2016, Elsevier

    Professor Eliseo Ruiz Sabín

  88. Frontispiece: Lanthanide Tetrazolate Complexes Combining Single‐Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N3 by β‐Diketonate Ligands on the Anisotropy Energy Barrier

    Article • Chemistry - A European Journal, September 2016, Wiley

    Professor Eliseo Ruiz Sabín

  89. Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models

    Article • Chemistry - A European Journal, July 2016, Wiley

    Professor Eliseo Ruiz Sabín

  90. Lanthanide Tetrazolate Complexes Combining Single-Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N3 by β-Diketonate Ligands on the Anisotropy Energy Barrier

    Article • Chemistry - A European Journal, July 2016, Wiley

    Professor Eliseo Ruiz Sabín

  91. DFT approaches to transport calculations in magnetic single-molecule devices

    Article • Theoretical Chemistry Accounts, July 2016, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  92. Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex

    Article • Chemistry - A European Journal, July 2016, Wiley

    Professor Eliseo Ruiz Sabín

  93. Single-Molecule Magnet Properties of Transition-Metal Ions Encapsulated in Lacunary Polyoxometalates: A Theoretical Study

    Article • Inorganic Chemistry, June 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Professor Diego A Venegas-Yazigi

  94. Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe42 Complex

    Article • Scientific Reports, April 2016, Nature

    Professor Diego A Venegas-Yazigi, Professor Eliseo Ruiz Sabín

  95. Sequential Electron Transport and Vibrational Excitations in an Organic Molecule Coupled to Few-Layer Graphene Electrodes

    Article • ACS Nano, February 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  96. Theoretical Modeling of the Ligand-Tuning Effect over the Transition Temperature in Four-Coordinated FeIIMolecules

    Article • Inorganic Chemistry, February 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  97. Pyridinethiolate Titanocene Metalloligands and Their Self-Assembly Reactions To Yield Early–Late Metallamacrocycles

    Article • Organometallics, February 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Prof. Dr. Jesús J. Pérez-Torrente

  98. Large Conductance Switching in a Single-Molecule Device through Room Temperature Spin-Dependent Transport

    Article • Nano Letters, January 2016, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  99. A low spin manganese(iv) nitride single molecule magnet

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  100. Multiscale study of mononuclear CoII SMMs based on curcuminoid ligands

    Article • Chemical Science, January 2016, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  101. Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks

    Article • Inorganic Chemistry Frontiers, January 2016, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  102. Magnetic and transport properties of Fe4single-molecule magnets: a theoretical insight

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  103. Magnetic Behaviour of Transition Metal Complexes with Functionalized Chiral and C60-Filled Nanotubes as Bridging Ligands: A Theoretical Study

    Article • Magnetochemistry, December 2015, MDPI AG

    Professor Eliseo Ruiz Sabín

  104. Large magnetic anisotropy in mononuclear metal complexes

    Article • Coordination Chemistry Reviews, April 2015, Elsevier

    Professor Eliseo Ruiz Sabín

  105. Negatively Charged Metallacarborane Redox Couples with Both Members Stable to Air

    Article • Chemistry - A European Journal, March 2015, Wiley

    Professor Eliseo Ruiz Sabín

  106. Amending the Anisotropy Barrier and Luminescence Behavior of Heterometallic Trinuclear Linear [MIILnIIIMII] (LnIII=Gd, Tb, Dy; MII=Mg/Zn) Complexes by Change from Divalent Paramagnetic to Diamagnetic Metal Ions

    Article • Chemistry - A European Journal, March 2015, Wiley

    Professor Eliseo Ruiz Sabín

  107. First evidence of light-induced spin transition in molybdenum(iv)

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  108. Increasing the effective energy barrier promoted by the change of a counteranion in a Zn–Dy–Zn SMM: slow relaxation via the second excited state

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  109. Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems

    Article • Journal of Materials Chemistry C, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  110. A trinuclear CuII complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  111. Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  112. Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  113. Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  114. Rational Electrostatic Design of Easy-Axis Magnetic Anisotropy in a ZnII-DyIII-ZnIISingle-Molecule Magnet with a High Energy Barrier

    Article • Chemistry - A European Journal, September 2014, Wiley

    Dr Marco Evangelisti, Professor Eliseo Ruiz Sabín

  115. Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear Ni II 2 –Mn II Complexes: Experimental Observations and Theoretical Rationalization

    Article • Inorganic Chemistry, September 2014, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  116. Guest Modulation of Spin-Crossover Transition Temperature in a Porous Iron(II) Metal-Organic Framework: Experimental and Periodic DFT Studies

    Article • Chemistry - A European Journal, August 2014, Wiley

    Professor Eliseo Ruiz Sabín

  117. Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy

    Article • Nature Communications, July 2014, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  118. Effect of Metal Complexation on the Conductance of Single-Molecular Wires Measured at Room Temperature

    Article • Journal of the American Chemical Society, June 2014, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  119. TwoC3-Symmetric Dy3IIIComplexes with Triple Di-μ-methoxo-μ-phenoxo Bridges, Magnetic Ground State, and Single-Molecule Magnetic Behavior

    Article • Chemistry - A European Journal, May 2014, Wiley

    Dr Marco Evangelisti, Professor Eliseo Ruiz Sabín

  120. Experimental and Theoretical Studies on Arene-Bridged Metal-Metal-Bonded Dimolybdenum Complexes

    Article • Chemistry - A European Journal, April 2014, Wiley

    Professor Eliseo Ruiz Sabín

  121. Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex

    Article • Inorganic Chemistry, January 2014, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  122. Spin-Crossover Behavior in Two New Supramolecular Isomers

    Article • Inorganic Chemistry, January 2014, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  123. Charge transport properties of spin crossover systems

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  124. All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Professor Annie Powell, Professor Eliseo Ruiz Sabín

  125. A Racemic and Enantiopure Unsymmetric Diiron(III) Complex with a Chiralo-Carborane-Based Pyridylalcohol Ligand: Combined Chiroptical, Magnetic, and Nonlinear Optical Properties

    Article • Chemistry - A European Journal, December 2013, Wiley

    Professor Eliseo Ruiz Sabín, Dr Simon Clevers

  126. Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear Dy III Complexes

    Article • Inorganic Chemistry, December 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  127. Cu II Gd III Cryogenic Magnetic Refrigerants and Cu 8 Dy 9 Single‐Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine: Exp...

    Article • Chemistry - A European Journal, November 2013, Wiley

    Professor Eliseo Ruiz Sabín

  128. Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer

    Article • Inorganic Chemistry, November 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Dr Juan Francisco Sánchez Royo

  129. A Mn II 6 Mn III 6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies

    Article • Inorganic Chemistry, October 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  130. A density functional theory approach to the magnetic properties of a coupled single-molecule magnet (Mn 7 ) 2 complex — An entangled qubit pair candidate

    Article • Canadian Journal of Chemistry, September 2013, Canadian Science Publishing

    Professor Eliseo Ruiz Sabín

  131. Slow Magnetic Relaxation in a CoII-YIIISingle-Ion Magnet with Positive Axial Zero-Field Splitting

    Article • Angewandte Chemie, July 2013, Wiley

    Professor Eliseo Ruiz Sabín

  132. Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence Mn III Mn II Complexes Derived from a Macrocyclic Ligand

    Article • Inorganic Chemistry, July 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  133. Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes

    Article • Journal of the American Chemical Society, May 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  134. Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M = Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters

    Article • Inorganic Chemistry, May 2013, American Chemical Society (ACS)

    Professor Annie Powell, RODOLPHE CLERAC, Professor Eliseo Ruiz Sabín

  135. Interconversion of Quadruply and Quintuply Bonded Molybdenum Complexes by Reductive Elimination and Oxidative Addition of Dihydrogen

    Article • Angewandte Chemie, February 2013, Wiley

    Professor Eliseo Ruiz Sabín

  136. Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [MII3(μ3-O/X)]n+Triangle Core

    Article • Inorganic Chemistry, January 2013, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  137. Spins on a curved surface: an FeIII14 ferracalixarene

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Professor Annie Powell, Yanhua Lan, Professor Eliseo Ruiz Sabín

  138. Two 3d–4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  139. Unprecedented ferromagnetic dipolar interaction in a dinuclear holmium(iii) complex: a combined experimental and theoretical study

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Ming-Liang Tong, Professor Eliseo Ruiz Sabín

  140. Spin-polarized transport through single-molecule magnet Mn6 complexes

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  141. CoIILnIII dinuclear complexes (LnIII = Gd, Tb, Dy, Ho and Er) as platforms for 1,5-dicyanamide-bridged tetranuclear CoII2LnIII2 complexes: A magneto-structural and theoretical study

    Article • Comptes Rendus Chimie, October 2012, Elsevier

    Professor Eliseo Ruiz Sabín

  142. Theoretical Study of Exchange Coupling in 3d-Gd Complexes: Large Magnetocaloric Effect Systems

    Article • Journal of the American Chemical Society, June 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  143. Hexanuclear Copper(II) Cages Built on a Central {μ 3 –O···H···μ 3 –O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies

    Article • Inorganic Chemistry, June 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  144. Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear Ni II Ln III Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theoretical Magneto-Structural Studies, and Single-Molecule Magnet Behavior

    Article • Inorganic Chemistry, May 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  145. Charge Transfer and Tunable Ambipolar Effect Induced by Assembly of Cu(II) Binuclear Complexes on Carbon Nanotube Field Effect Transistor Devices

    Article • Journal of the American Chemical Society, May 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  146. Exchange Coupling Mediated by N–H···Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis( o -phenylenediamine)nickel(II) Chloride

    Article • Inorganic Chemistry, May 2012, American Chemical Society (ACS)

    Professor Carlos J. Gómez-García, Professor Eliseo Ruiz Sabín

  147. Self-Assembly of Heterometallic Metallomacrocycles via Ditopic Fluoroaryl Gold(I) Organometallic Metalloligands

    Article • Organometallics, February 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  148. Triangular Nickel Complexes Derived from 2-Pyridylcyanoxime: An Approach to the Magnetic Properties of the [Ni3(μ3-OH){pyC(R)NO}3]2+ Core

    Article • Chemistry - A European Journal, February 2012, Wiley

    Professor Eliseo Ruiz Sabín

  149. Coherent Transport through Spin-Crossover Single Molecules

    Article • Journal of the American Chemical Society, January 2012, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  150. Enhanced bistability by guest inclusion in Fe(ii) spin crossover porous coordination polymers

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  151. Field and dilution effects on the slow relaxation of a luminescent DyO9 low-symmetry single-ion magnet

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  152. Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni3Mn2 complexes using theoretical methods based on Density Functional Theory

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  153. Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets

    Article • Dalton Transactions, January 2012, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  154. Design of Dinuclear Copper Species with Carboranylcarboxylate Ligands: Study of Their Steric and Electronic Effects

    Article • Chemistry - A European Journal, October 2011, Wiley

    Professor Eliseo Ruiz Sabín

  155. Ni-2,3-thiophenedithiolate Anions in New Architectures: An In-Line Mixed-Valence Ni Dithiolene (Ni4-S12) Cluster

    Article • European Journal of Inorganic Chemistry, September 2011, Wiley

    Professor Eliseo Ruiz Sabín

  156. S T = 22 [Mn 10 ] Supertetrahedral Building-Block to Design Extended Magnetic Networks

    Article • Inorganic Chemistry, September 2011, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  157. The Dilemma of CrIIINiII Exchange Interactions: Ferromagnetism versus Antiferromagnetism

    Article • Chemistry - A European Journal, June 2011, Wiley

    Professor Eliseo Ruiz Sabín

  158. A Molecular Pair of [GdNi3] Tetrahedra Bridged by Water Molecules

    Article • Chemistry - A European Journal, June 2011, Wiley

    Dr Marco Evangelisti, Dr guillem aromi, Professor Eliseo Ruiz Sabín

  159. Thermal behavior of Si-doped fullerenes vs their structural stability at T=0K: A density functional study

    Article • Chemical Physics Letters, June 2011, Elsevier

    Professor Eliseo Ruiz Sabín

  160. Mononuclear Fe II Single-Molecule Magnets: A Theoretical Approach

    Article • Inorganic Chemistry, May 2011, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  161. Exchange coupling constants using density functional theory: Long-range corrected functionals

    Article • Journal of Computational Chemistry, April 2011, Wiley

    Professor Eliseo Ruiz Sabín

  162. The Use of a Bis(phenylpyrazolyl)pyridyl Ligand to Prepare [Mn4] and [Mn10] Cage Complexes

    Article • Chemistry - A European Journal, March 2011, Wiley

    Dr guillem aromi, Professor Eliseo Ruiz Sabín, Dr Jose Sanchez Costa

  163. Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged Ni II 4 Cyclic Clusters

    Article • Inorganic Chemistry, October 2010, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Dr SUSANTA HAZRA

  164. Magnetic Properties of Largest-Spin Single Molecule Magnets: Mn 17 Complexes—A Density Functional Theory Approach

    Article • Inorganic Chemistry, October 2010, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  165. Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes

    Article • Coordination Chemistry Reviews, September 2010, Elsevier

    Professor Eliseo Ruiz Sabín, Professor Diego A Venegas-Yazigi

  166. Fatty Acid Carboxylate- and Anionic Surfactant-Controlled Delivery Systems That Use Mesoporous Silica Supports

    Article • Chemistry - A European Journal, July 2010, Wiley

    Professor Eliseo Ruiz Sabín

  167. Electronic structure and localization properties ofC60T...

    Article • Physical Review B, May 2010, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  168. Magnetic coupling in trinuclear partial cubane copper(II) complexes with a hydroxo bridging core and peripheral phenoxo bridges from NNO donor Schiff base ligands

    Article • Inorganica Chimica Acta, March 2010, Elsevier

    Professor Eliseo Ruiz Sabín

  169. Antiferromagnetism or Delocalized Spin in a Cu3S2 Core?

    Article • Chemistry - A European Journal, February 2010, Wiley

    Professor Eliseo Ruiz Sabín

  170. A new family of oxime-based hexanuclear manganese(iii) single molecule magnets with high anisotropy energy barriers

    Article • Chemical Communications, January 2010, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  171. Synthesis, crystal structure and magnetic properties of three unprecedented tri-nuclear and one very rare tetra-nuclear copper(ii) Schiff-base complexes supported by mixed azido/phenoxo/nitrato or acetato bridges

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  172. Extended Fe4 butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  173. Synthesis of a novel heptacoordinated Fe(iii) dinuclear complex: experimental and theoretical study of the magnetic properties

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Dr guillem aromi, Professor Eliseo Ruiz Sabín, Dr Jose Sanchez Costa

  174. Synthesis, crystal structure and magnetic properties of two oxalato-bridged dimetallic trinuclear complexes combined with a polar cation

    Article • Dalton Transactions, January 2010, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  175. Discovering the Complex Chemistry of a Simple Ni II /H 3 L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds

    Article • Inorganic Chemistry, October 2009, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  176. A Mixed-Valent Pentanuclear CuII4CuI Compound Containing a Radical-Anion Ligand

    Article • Inorganic Chemistry, October 2009, American Chemical Society (ACS)

    Dr Tiddo Jonathan Mooibroek, Professor Patrick Gamez, Professor Eliseo Ruiz Sabín

  177. Theoretical Methods Enlighten Magnetic Properties of a Family of Mn 6 Single-Molecule Magnets

    Article • Inorganic Chemistry, August 2009, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  178. Borate-Driven Gatelike Scaffolding Using Mesoporous Materials Functionalised with Saccharides

    Article • Chemistry - A European Journal, July 2009, Wiley

    Professor Eliseo Ruiz Sabín

  179. How to Build Molecules with Large Magnetic Anisotropy

    Article • Chemistry - A European Journal, April 2009, Wiley

    Professor Eliseo Ruiz Sabín

  180. Exchange Interactions in Azido-Bridged Ligand Ni II Complexes: A Theoretical Analysis

    Article • Inorganic Chemistry, April 2009, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  181. Magnetic Bistability and Thermochromism in a Molecular Cu II Chain

    Article • Inorganic Chemistry, February 2009, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  182. Can theoretical methods go beyond the experimental data? The case of molecular magnetism

    Article • Dalton Transactions, January 2009, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  183. Single-molecule magnet Fe9 supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions

    Article • Chemical Communications, January 2009, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  184. Structure, Magnetic Properties, Polarized Neutron Diffraction, and Theoretical Study of a Copper(II) Cubane

    Article • Chemistry - A European Journal, October 2008, Wiley

    Professor Eliseo Ruiz Sabín

  185. Exchange interactions in a Fe5 complex: A theoretical study using density functional theory

    Article • Inorganica Chimica Acta, October 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  186. Exchange coupling in CuIIGdIII dinuclear complexes: A theoretical perspective

    Article • Comptes Rendus Chimie, October 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  187. Experimental and theoretical study of the spin ground state of the high-spin molecular cluster [NiII{NiII(CH3OH)3}8(μ-CN)30{WV(CN)3}6]·15CH3OH by polarised neutron diffraction and density functional theory calculations

    Article • Inorganica Chimica Acta, September 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  188. Exchange coupling constants using density functional theory: The M0X suite

    Article • Chemical Physics Letters, July 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  189. Squarato−Metal(II) Complexes. 2. Unusual Bonding Mode for a Squarato-Bridged Trinuclear Copper(II) Complex

    Article • Inorganic Chemistry, June 2008, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  190. Magnetic Structure of the Large-Spin Mn 10 and Mn 19 Complexes: A Theoretical Complement to an Experimental Milestone

    Article • Journal of the American Chemical Society, June 2008, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  191. Stereochemistry and Spin State in Four-Coordinate Transition Metal Compounds

    Article • Inorganic Chemistry, April 2008, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  192. Magnetic exchange interaction in triply bridged dinickel(II) complexes

    Article • Chemical Physics Letters, February 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  193. Dual Aperture Control on pH- and Anion-Driven Supramolecular Nanoscopic Hybrid Gate-like Ensembles

    Article • Journal of the American Chemical Society, February 2008, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  194. Ferromagnetic Coupling in Trinuclear, Partial Cubane CuII Complexes with a μ3‐OH Core: Magnetostructural Correlations

    Article • Chemistry - A European Journal, February 2008, Wiley

    Professor Eliseo Ruiz Sabín

  195. Can large magnetic anisotropy and high spin really coexist?

    Article • Chemical Communications, January 2008, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  196. On the origin of ferromagnetism in oximato-based [Mn3O]7+triangles

    Article • Dalton Transactions, January 2008, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  197. Structure and Magnetism of Dinuclear Copper(II) Metallacyclophanes with Oligoacenebis(oxamate) Bridging Ligands:  Theoretical Predictions on Wirelike Magnetic Coupling

    Article • Journal of the American Chemical Society, January 2008, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  198. Ferromagnetic Coupling in Trinuclear, Partial Cubane CuII Complexes with a μ3-OH Core: Magnetostructural Correlations

    Article • Chemistry - A European Journal, November 2007, Wiley

    Professor Eliseo Ruiz Sabín

  199. Strong Magnetic Interactions through Weak Bonding Interactions in Organometallic Radicals: Combined Experimental and Theoretical Study

    Article • Chemistry - A European Journal, October 2007, Wiley

    Professor Eliseo Ruiz Sabín

  200. Molecules Composed of Two Weakly Magnetically Coupled [Mn III 4 ] Clusters

    Article • Inorganic Chemistry, October 2007, American Chemical Society (ACS)

    Dr guillem aromi, Professor Eliseo Ruiz Sabín

  201. Ferromagnetic Coupling in a 1D Coordination Polymer Containing a Symmetric [Cu(μ 1,1 -N 3 ) 2 Cu(μ 1,1 -N 3 ) 2 Cu] 2+ Core and Based on an Organic Ligand Obtained from the Solid State

    Article • Inorganic Chemistry, October 2007, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  202. Theoretical study of the exchange coupling interactions in a polyoxometalate Fe9W12 complex

    Article • Polyhedron, June 2007, Elsevier

    Professor Eliseo Ruiz Sabín

  203. Theoretical Study of the Magnetic Properties of an Mn 12 Single-Molecule Magnet with a Loop Structure:  The Role of the Next-Nearest Neighbor Interactions †

    Article • Journal of Chemical Theory and Computation, May 2007, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  204. Self-Assembly Reactions between the Cis - Protected Metal Corners (N−N)M II (N−N = Ethylenediamine, 4,4‘-Substituted 2,2‘-Bipyridine; M = Pd, Pt) and the Fluorinated Edge 1,4-Bis(4-pyridyl)tetrafluorobenzene

    Article • Inorganic Chemistry, April 2007, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  205. Neutron Diffraction and Theoretical DFT Studies of Two Dimensional Molecular-Based Magnet K 2 [Mn(H 2 O) 2 ] 3 [Mo(CN) 7 ] 2 ·6H 2 O

    Article • Inorganic Chemistry, February 2007, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  206. Strong Antiferromagnetic Coupling at Long Distance through a Ligand to Metal Charge Transfer Mechanism

    Article • The Journal of Physical Chemistry C, January 2007, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  207. Magnetostructural Correlations in Polynuclear Complexes:  The Fe 4 Butterflies

    Article • Journal of the American Chemical Society, December 2006, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  208. Theoretical study of the electronic properties and exchange coupling in a Ni4 cubane like single-molecule magnet

    Article • Physica B Condensed Matter, October 2006, Elsevier

    Professor Eliseo Ruiz Sabín, Professor Diego A Venegas-Yazigi

  209. Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

    Article • Physica B Condensed Matter, October 2006, Elsevier

    Professor Eliseo Ruiz Sabín

  210. Encouraging Chromium(III) Ions to Form Larger Clusters: Syntheses, Structures, Magnetic Properties and Theoretical Studies of Di- and Octametallic Cr Clusters

    Article • European Journal of Inorganic Chemistry, September 2006, Wiley

    Dr guillem aromi, Professor Eliseo Ruiz Sabín

  211. Shape and Spin State in Four-Coordinate Transition-Metal Complexes: The Case of the d6 Configuration

    Article • Chemistry - A European Journal, April 2006, Wiley

    Professor Eliseo Ruiz Sabín

  212. Reply to “Comment on ‘About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error’” [J. Chem. Phys.123, 164110 (2005)]

    Article • The Journal of Chemical Physics, March 2006, American Institute of Physics

    Professor Eliseo Ruiz Sabín

  213. Magnetic Communication through Functionalized Nanotubes: A Theoretical Study

    Article • Nano Letters, March 2006, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  214. A Family of Ferro- and Antiferromagnetically Coupled Decametallic Chromium(III) Wheels

    Article • Chemistry - A European Journal, February 2006, Wiley

    Professor Eliseo Ruiz Sabín, Dr Stefan T Ochsenbein

  215. Theoretical study of the exchange coupling in a Ni12 single-molecule magnet

    Article • Dalton Transactions, January 2006, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín, Professor Diego A Venegas-Yazigi

  216. Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4core

    Article • Journal of Materials Chemistry, January 2006, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  217. Theoretical Determination of Multiple Exchange Couplings and Magnetic Susceptibility Data in Inorganic Solids:  The Prototypical Case of Cu 2 (OH) 3 NO 3

    Article • The Journal of Physical Chemistry, January 2006, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  218. Dendrimers Containing Two Metallic Layers. Chloride Migration from Peripheral Gold, Palladium, or Rhodium Metals to Internal Ruthenium Atoms

    Article • Organometallics, December 2005, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  219. Spin density distribution in transition metal complexes

    Article • Coordination Chemistry Reviews, December 2005, Elsevier

    Professor Eliseo Ruiz Sabín

  220. An Fe11 complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations

    Article • Polyhedron, November 2005, Elsevier

    Professor Eliseo Ruiz Sabín

  221. About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error

    Article • The Journal of Chemical Physics, October 2005, American Institute of Physics

    Professor Eliseo Ruiz Sabín

  222. Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe10 complex

    Article • Chemical Physics Letters, October 2005, Elsevier

    Professor Eliseo Ruiz Sabín

  223. [Cu 3 (μ-S) 2 ] 3+ Clusters Supported by N-Donor Ligands:  Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase

    Article • Journal of the American Chemical Society, October 2005, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  224. Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches

    Article • The Journal of Chemical Physics, August 2005, American Institute of Physics

    Professor Eliseo Ruiz Sabín

  225. Density Functional Study of Exchange Coupling Constants in Single-Molecule Magnets: The Fe8 Complex

    Article • Chemistry - A European Journal, August 2005, Wiley

    Professor Eliseo Ruiz Sabín

  226. Asymmetric Azido−Copper(II) Bridges:  Ferro- or Antiferromagnetic? Experimental and Theoretical Magneto−Structural Studies

    Article • Inorganic Chemistry, July 2005, American Chemical Society (ACS)

    Professor Carlos J. Gómez-García, Professor Eliseo Ruiz Sabín

  227. Unexpected Ferromagnetic Interaction in a New Tetranuclear Copper(II) Complex:  Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Studies

    Article • Inorganic Chemistry, July 2005, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  228. Theoretical Study of the Magnetic Behavior of Ferric Wheels

    Article • ChemPhysChem, June 2005, Wiley

    Professor Eliseo Ruiz Sabín

  229. Cation templation of Mn2+/[Mo(CN)7]4− system: Formation of pseudo-dimorphs (NH4)2Mn3(H2O)4[Mo(CN)7]2·nH2O (n=4, 5)

    Article • Polyhedron, June 2005, Elsevier

    Professor Eliseo Ruiz Sabín

  230. Symmetry and Topology Determine the MoV-CN-MnIIExchange Interactions in High-Spin Molecules

    Article • Angewandte Chemie, April 2005, Wiley

    Professor Eliseo Ruiz Sabín

  231. Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry

    Article • Organometallics, March 2005, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  232. Is It Possible To Get HighTCMagnets with Prussian Blue Analogues? A Theoretical Prospect

    Article • Chemistry - A European Journal, January 2005, Wiley

    Professor Eliseo Ruiz Sabín

  233. Exchange coupling in µ-aqua:µ-oxo vs. di-µ-hydroxo dinuclear Cu(ii) compounds: a density functional study

    Article • Dalton Transactions, January 2005, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  234. Ferromagnetic Interaction in ?1,3-Cyanamido-Derived Copper(II) Cryptates

    Article • Chemistry - A European Journal, January 2005, Wiley

    Professor Eliseo Ruiz Sabín

  235. Novel CuIII Bis-1,2-dichalcogenene Complexes with Tunable 3D Framework through Alkaline Cation Coordination: A Structural and Theoretical Study

    Article • Chemistry - A European Journal, April 2004, Wiley

    Professor Eliseo Ruiz Sabín

  236. Theoretical study of exchange coupling constants in an Fe19 complex

    Article • Journal of Physics and Chemistry of Solids, April 2004, Elsevier

    Professor Eliseo Ruiz Sabín

  237. A Theoretical Study of the Exchange Coupling in Hydroxo- and Alkoxo-Bridged Dinuclear Oxovanadium(IV) Compounds

    Article • European Journal of Inorganic Chemistry, January 2004, Wiley

    Professor Eliseo Ruiz Sabín

  238. Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets

    Article • Journal of Solid State Chemistry, December 2003, Elsevier

    Professor Eliseo Ruiz Sabín

  239. Equilibria between Metallosupramolecular Squares and Triangles with the New Rigid Linker 1,4-Bis(4-pyridyl)tetrafluorobenzene. Experimental and Theoretical Study of the Structural Dependence of NMR Data

    Article • Inorganic Chemistry, September 2003, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  240. Tailor-Made Strong Exchange Magnetic Coupling through Very Long Bridging Ligands:  Theoretical Predictions

    Article • Inorganic Chemistry, August 2003, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  241. Theoretical Study of the Magnetic Behavior of Hexanuclear Cu(II) and Ni(II) Polysiloxanolato Complexes

    Article • Journal of the American Chemical Society, June 2003, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  242. Exchange Coupling in Metal Complexes of the Second Transition Series: A Theoretical Exploration

    Article • European Journal of Inorganic Chemistry, May 2003, Wiley

    Professor Eliseo Ruiz Sabín

  243. About the calculation of exchange coupling constants in polynuclear transition metal complexes

    Article • Journal of Computational Chemistry, April 2003, Wiley

    Professor Eliseo Ruiz Sabín

  244. A Novel Hexanuclear Mixed Oxidation State Cu II 4 Cu I 2 Cluster Complex Exhibiting Weak Ferromagnetic Exchange

    Article • Inorganic Chemistry, February 2003, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  245. Magneto-Structural Correlations in Trinuclear Cu(II) Complexes: A Density Functional Study

    Article • Monatshefte für Chemie - Chemical Monthly, January 2003, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  246. Localized Orbitals vs . Pseudopotential-Plane Waves Basis Sets: Performances and Accuracy for Molecular Magnetic Systems

    Article • Monatshefte für Chemie - Chemical Monthly, January 2003, Springer Science + Business Media

    Professor Eliseo Ruiz Sabín

  247. Spin Densities in a Ferromagnetic Bimetallic Chain Compound:  Polarized Neutron Diffraction and DFT Calculations

    Article • Journal of the American Chemical Society, December 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  248. Room-Temperature Synthesis and Crystal, Magnetic, and Electronic Structure of the First Silver Copper Oxide

    Article • Inorganic Chemistry, December 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Professor Juan Rodriguez-Carvajal

  249. New Oxamidato-Bridged Cu II −Ni II Complexes:  Supramolecular Structures with Thiocyanate Ligands and Hydrogen Bonds. Magnetostructural Studies:  DFT Calculations

    Article • Inorganic Chemistry, December 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  250. Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding

    Article • Chemical Communications, October 2002, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  251. Electronic Interactions in (η 6 -Arene) Ferracarboranes 1

    Article • Organometallics, September 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  252. Helical Self-Organization and Hierarchical Self-Assembly of an Oligoheterocyclic Pyridine–Pyridazine Strand into Extended Supramolecular Fibers

    Article • Chemistry - A European Journal, August 2002, Wiley

    Professor Eliseo Ruiz Sabín

  253. Exchange Coupling in Halo-Bridged Dinuclear Cu(II) Compounds:  A Density Functional Study

    Article • Inorganic Chemistry, June 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  254. Theoretical Clues to the Mechanism of Dioxygen Formation at the Oxygen-Evolving Complex of Photosystem II

    Article • Chemistry - A European Journal, June 2002, Wiley

    Professor Eliseo Ruiz Sabín

  255. Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes

    Article • The Journal of Physical Chemistry A, May 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  256. Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding:  A Theoretical Investigation

    Article • Journal of the American Chemical Society, May 2002, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  257. Exchange Coupling in Cyano-Bridged Homodinuclear Cu(II) and Ni(II) Complexes:  Synthesis, Structure, Magnetism, and Density Functional Theoretical Study

    Article • Inorganic Chemistry, November 2001, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  258. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes:  X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal

    Article • Chemistry of Materials, November 2001, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  259. Electron Transfer in the [Pt(NH 3 ) 4 ] 2+ [W(CN) 8 ] 3- Donor−Acceptor System. The Environment Effect:  A Time-Dependent Density Functional Study

    Article • Journal of the American Chemical Society, October 2001, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  260. Copper(II) Complexes with 4-Amino- N -[4,6-dimethyl-2-pyrimidinyl]benzenesulfonamide. Synthesis, Crystal Structure, Magnetic Properties, EPR, and Theoretical Studies of a Novel Mixed μ-Carboxylato, NCN-Bridged Dinuclear Copper Compound

    Article • Inorganic Chemistry, June 2001, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  261. Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core

    Article • Polyhedron, May 2001, Elsevier

    Professor Eliseo Ruiz Sabín

  262. Exchange Coupling in Carboxylato-Bridged Dinuclear Copper(II) Compounds: A Density Functional Study

    Article • Chemistry - A European Journal, February 2001, Wiley

    Professor Eliseo Ruiz Sabín

  263. Color and Conductivity in Cu 2 O and CuAlO 2 :  A Theoretical Analysis of d 10 ···d 10 Interactions in Solid-State Compounds

    Article • Chemistry of Materials, February 2001, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  264. Magnetic Coupling in End-to-End Azido-Bridged Copper and Nickel Binuclear Complexes:  A Theoretical Study

    Article • Inorganic Chemistry, June 2000, American Chemical Society (ACS)

    Professor Juan J. Novoa, Professor Eliseo Ruiz Sabín

  265. Asymmetry and Magnetism in Bis(oximato)-Bridged Heterobimetallic Compounds: A Computational Approach

    Article • Chemistry - A European Journal, January 2000, Wiley

    Professor Eliseo Ruiz Sabín

  266. Theoretical study of the guest  · · ·  guest interactions of cobaltocene intercalated in metal sulfides

    Article • Journal of the Chemical Society Dalton Transactions, January 2000, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  267. The coloring problem in Ba2Cu3VS6 †

    Article • Journal of the Chemical Society Dalton Transactions, January 2000, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  268. Theoretical approach to the magnetostructural correlations in the spin-Peierls compound CuGeO 3

    Article • January 2000, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  269. Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes

    Article • Journal of Computational Chemistry, October 1999, Wiley

    Professor Eliseo Ruiz Sabín

  270. Electronic Structure and Bonding in CuMO 2 (M = Al, Ga, Y) Delafossite-Type Oxides:  An Ab Initio Study

    Article • The Journal of Physical Chemistry, September 1999, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  271. Theoretical study of the exchange coupling in copper(II) binuclear compounds with oxamidate and related polyatomic bridging ligands †

    Article • Journal of the Chemical Society Dalton Transactions, January 1999, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  272. One-Dimensional Intercalation Compound 2 HgS⋅SnBr2: Ab Initio Electronic Structure Calculations and Molecular Dynamics Simulations

    Article • Chemistry - A European Journal, December 1998, Wiley

    Professor Eliseo Ruiz Sabín

  273. Magnetic Coupling in End-On Azido-Bridged Transition Metal Complexes:  A Density Functional Study

    Article • Journal of the American Chemical Society, November 1998, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  274. Electronic Structure of Host Lattices for Intercalation Compounds:  SnS 2 , SnSe 2 , ZrS 2 , and TaS 2

    Article • Chemistry of Materials, November 1998, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  275. Exchange Coupling in Oxalato-Bridged Copper(II) Binuclear Compounds: A Density Functional Study

    Article • Chemistry - A European Journal, March 1998, Wiley

    Professor Eliseo Ruiz Sabín

  276. Theoretical study of the intercalation of cobaltocene in metal chalcogenides

    Article • Journal of Materials Chemistry, January 1998, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  277. Theoretical search for new ferromagnetically coupled transition metal complexes

    Article • Chemical Communications, January 1998, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  278. Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints

    Article • Comments on Inorganic Chemistry, January 1998, Taylor & Francis

    Professor Eliseo Ruiz Sabín

  279. Electronic structure and properties of Cu 2 O

    Article • September 1997, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  280. Structural Modeling and Magneto−Structural Correlations for Hydroxo-Bridged Copper(II) Binuclear Complexes

    Article • Inorganic Chemistry, August 1997, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  281. Toward the Prediction of Magnetic Coupling in Molecular Systems:  Hydroxo- and Alkoxo-Bridged Cu(II) Binuclear Complexes

    Article • Journal of the American Chemical Society, February 1997, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  282. Electronic Structure and Dynamic Properties of Solid Alkali Cyanides

    Article • The Journal of Physical Chemistry A, February 1997, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  283. Structure of the non-polar (101̄0) surfaces of AlN and α-SiC: a periodic Hartree-Fock study

    Article • Surface Science, June 1996, Elsevier

    Professor Eliseo Ruiz Sabín

  284. Ab initio study of AlN and α-SiC (112¯0) surface relaxation

    Article • February 1996, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  285. Charge-Transfer Complexes:  Stringent Tests for Widely Used Density Functionals

    Article • The Journal of Physical Chemistry, January 1996, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  286. Theoretical Study of Host.cntdot..cntdot..cntdot.Guest Interactions in Clathrates with a Cd(CN)2 Host

    Article • Inorganic Chemistry, November 1995, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  287. Host.cntdot..cntdot..cntdot.Guest Interactions in the Pyrrole and Aniline Hofmann Clathrates. A Theoretical Study

    Article • Inorganic Chemistry, June 1995, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  288. Intercalation of Halogen Molecules in Alkali Fluoride Lattices: A Theoretical Study

    Article • Journal of the American Chemical Society, March 1995, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  289. Electronic Structure and Bonding in CaC2

    Article • The Journal of Physical Chemistry, March 1995, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  290. Determining and extending the domain of exchange and correlation functionals

    Article • International Journal of Quantum Chemistry, February 1995, Wiley

    Professor Eliseo Ruiz Sabín

  291. Ab Initio Study of the Intermolecular Interactions in the Hofmann Clathrates

    Article • The Journal of Physical Chemistry, February 1995, American Chemical Society (ACS)

    Professor Juan J. Novoa, Professor Eliseo Ruiz Sabín

  292. Defining the Domain of Density Functionals: Charge-Transfer Complexes

    Article • Journal of the American Chemical Society, January 1995, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  293. Electronic structure and properties of hexagonal wurtzite-type SiC

    Article • International Journal of Quantum Chemistry, October 1994, Wiley

    Professor Eliseo Ruiz Sabín

  294. Crystal Orbital Displacement Analysis of Interactions in the Solid State. Application to the Study of Host-Guest Interactions in the Hofmann Clathrates

    Article • Journal of the American Chemical Society, September 1994, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín, Professor Joel Bernstein

  295. Electronic structure and properties of AlN

    Article • March 1994, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  296. Unprecedented trimetallic cluster with an in-plane .mu.3-hydride ligand. X-ray crystal structure of [Mo2(CO)8(.mu.-dppm)(.mu.3-H)(.mu.-AuPPh3)]

    Article • Organometallics, November 1992, American Chemical Society (ACS)

    Professor Eliseo Ruiz Sabín

  297. Ab initio study of the bare and hydrated (001) surface of tetragonal zirconia

    Article • Surface Science, September 1992, Elsevier

    Professor Eliseo Ruiz Sabín

  298. Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods

    Article • Springer Science + Business Media

    Professor Eliseo Ruiz Sabín