All Stories

  1. [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

  2. 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

  3. Single-Molecule Transport of Fullerene-Based Curcuminoids

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

    Professor Eliseo Ruiz Sabín

  4. 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

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

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

    Professor Eliseo Ruiz Sabín

  6. [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

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

    Article • Angewandte Chemie International Edition, September 2019, Wiley

    Professor Eliseo Ruiz Sabín

  8. [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

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

    Article • Angewandte Chemie International Edition, August 2019, Wiley

    Professor Eliseo Ruiz Sabín

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

  24. 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

  25. 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

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

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

    Professor Eliseo Ruiz Sabín

  27. 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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  33. 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

  34. 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

  35. 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

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

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

    Professor Eliseo Ruiz Sabín

  37. 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

  38. 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

  39. 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

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

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

    Professor Eliseo Ruiz Sabín

  41. 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

  42. 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

  43. 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

  44. 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

  45. 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

  46. 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

  47. 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

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

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

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  50. 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

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

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

    Professor Eliseo Ruiz Sabín

  52. 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

  53. Large magnetic anisotropy in mononuclear metal complexes

    Article • Coordination Chemistry Reviews, April 2015, Elsevier

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  55. 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

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

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

    Professor Eliseo Ruiz Sabín

  57. 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

  58. 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

  59. 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

  60. 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

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

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

    Professor Eliseo Ruiz Sabín

  62. 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

  63. 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

  64. 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

  65. 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

  66. 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

  67. 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

  68. 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

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

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

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  71. Spin-Crossover Behavior in Two New Supramolecular Isomers

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

    Professor Eliseo Ruiz Sabín

  72. Charge transport properties of spin crossover systems

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

    Professor Eliseo Ruiz Sabín

  73. 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

  74. 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

  75. 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

  76. 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

  77. 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

  78. 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

  79. 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

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

    Article • Angewandte Chemie International Edition, July 2013, Wiley

    Professor Eliseo Ruiz Sabín

  81. 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

  82. 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

  83. 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

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

    Article • Angewandte Chemie International Edition, February 2013, Wiley

    Professor Eliseo Ruiz Sabín

  85. 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

  86. 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

  87. 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

  88. 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

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

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Professor Eliseo Ruiz Sabín

  90. 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

  91. 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

  92. 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

  93. 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

  94. 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

  95. 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

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

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

    Professor Eliseo Ruiz Sabín

  97. 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

  98. Coherent Transport through Spin-Crossover Single Molecules

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

    Professor Eliseo Ruiz Sabín

  99. 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

  100. 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

  101. 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

  102. 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

  103. 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

  104. 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

  105. 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

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

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

    Professor Eliseo Ruiz Sabín

  107. 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

  108. 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

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

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

    Professor Eliseo Ruiz Sabín

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

    Article • Journal of Computational Chemistry, April 2011, Wiley

    Professor Eliseo Ruiz Sabín

  111. 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

  112. 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

  113. 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

  114. 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

  115. 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

  116. Electronic structure and localization properties ofC60Tanclusters(n=1,3): A first-principles study

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

    Professor Eliseo Ruiz Sabín

  117. 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

  118. Antiferromagnetism or Delocalized Spin in a Cu3S2 Core?

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

    Professor Eliseo Ruiz Sabín

  119. 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

  120. 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

  121. 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

  122. 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

  123. 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

  124. 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

  125. 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

  126. 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

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

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

    Professor Eliseo Ruiz Sabín

  128. How to Build Molecules with Large Magnetic Anisotropy

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

    Professor Eliseo Ruiz Sabín

  129. 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

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

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

    Professor Eliseo Ruiz Sabín

  131. 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

  132. 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

  133. 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

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

    Article • Inorganica Chimica Acta, October 2008, Elsevier

    Professor Eliseo Ruiz Sabín

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

    Article • Comptes Rendus Chimie, October 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  136. 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

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

    Article • Chemical Physics Letters, July 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  138. 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

  139. 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

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

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

    Professor Eliseo Ruiz Sabín

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

    Article • Chemical Physics Letters, February 2008, Elsevier

    Professor Eliseo Ruiz Sabín

  142. 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

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

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

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  145. 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

  146. 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

  147. 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

  148. 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

  149. 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

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

    Article • Polyhedron, June 2007, Elsevier

    Professor Eliseo Ruiz Sabín

  151. 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

  152. 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

  153. 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

  154. 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

  155. 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

  156. 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

  157. 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

  158. 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

  159. 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

  160. 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

  161. Magnetic Communication through Functionalized Nanotubes: A Theoretical Study

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

    Professor Eliseo Ruiz Sabín

  162. 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

  163. 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

  164. 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

  165. 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

  166. 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

  167. Spin density distribution in transition metal complexes

    Article • Coordination Chemistry Reviews, December 2005, Elsevier

    Professor Eliseo Ruiz Sabín

  168. 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

  169. 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

  170. 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

  171. [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

  172. 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

  173. 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

  174. 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

  175. 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

  176. Theoretical Study of the Magnetic Behavior of Ferric Wheels

    Article • ChemPhysChem, June 2005, Wiley

    Professor Eliseo Ruiz Sabín

  177. 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

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

    Article • Angewandte Chemie International Edition, April 2005, Wiley

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  180. 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

  181. 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

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

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

    Professor Eliseo Ruiz Sabín

  183. 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

  184. 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

  185. 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

  186. 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

  187. 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

  188. 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

  189. 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

  190. 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

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

    Article • Journal of Computational Chemistry, April 2003, Wiley

    Professor Eliseo Ruiz Sabín

  192. 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

  193. 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

  194. 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

  195. 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

  196. 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

  197. 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

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

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

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  200. 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

  201. 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

  202. 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

  203. 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

  204. 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

  205. 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

  206. 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

  207. 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

  208. 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

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

    Article • Polyhedron, May 2001, Elsevier

    Professor Eliseo Ruiz Sabín

  210. 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

  211. 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

  212. 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

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

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

    Professor Eliseo Ruiz Sabín

  214. 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

  215. The coloring problem in Ba2Cu3VS6 †

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

    Professor Eliseo Ruiz Sabín

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

    Article • January 2000, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  217. 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

  218. 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

  219. 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

  220. 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

  221. 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

  222. 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

  223. 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

  224. 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

  225. Theoretical search for new ferromagnetically coupled transition metal complexes

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

    Professor Eliseo Ruiz Sabín

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

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

    Professor Eliseo Ruiz Sabín

  227. Electronic structure and properties of Cu 2 O

    Article • September 1997, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  228. 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

  229. 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

  230. 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

  231. 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

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

    Article • February 1996, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  233. 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

  234. 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

  235. 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

  236. 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

  237. Electronic Structure and Bonding in CaC2

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

    Professor Eliseo Ruiz Sabín

  238. 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

  239. 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

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

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

    Professor Eliseo Ruiz Sabín

  241. 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

  242. Electronic structure and properties of AlN

    Article • March 1994, American Physical Society (APS)

    Professor Eliseo Ruiz Sabín

  243. 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

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

    Article • Surface Science, September 1992, Elsevier

    Professor Eliseo Ruiz Sabín

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

    Article • Springer Science + Business Media

    Professor Eliseo Ruiz Sabín