List of works by Eliseo Ruiz

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

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

scientific article published on 01 February 2006

A Low Spin Manganese(IV) Nitride Single Molecule Magnet.

scientific article published on 9 June 2016

A MnII6MnIII6 single-strand molecular wheel with a reuleaux triangular topology: synthesis, structure, magnetism, and DFT studies.

scientific article

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

scientific article published on 10 June 2011

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

scientific article published on 14 April 2018

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

article published in 2004

A density functional theory approach to the magnetic properties of a coupled single-molecule magnet (Mn7)2 complex — An entangled qubit pair candidate

A mixed-valent pentanuclear Cu(II)(4)Cu(I) compound containing a radical-anion ligand

scientific article published in November 2009

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

scientific article

A novel hexanuclear mixed oxidation state Cu(II)(4)Cu(I)(2) cluster complex exhibiting weak ferromagnetic exchange

scientific article published in February 2003

A racemic and enantiopure unsymmetric diiron(III) complex with a chiral o-carborane-based pyridylalcohol ligand: combined chiroptical, magnetic, and nonlinear optical properties.

scientific article published on 12 December 2013

A trinuclear Cu(II) complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment.

scientific article published in September 2015

Ab Initio Study of the Intermolecular Interactions in the Hofmann Clathrates

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

Abinitiostudy of AlN and α-SiC (112¯0) surface relaxation

scientific article published on 01 February 1996

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

scientific article published in June 2003

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

scientific article published on 01 June 2014

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

scientific article published on 13 March 2015

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

article published in 2005

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

scientific article published on 30 May 2018

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

scientific article published on 3 November 2016

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.

scientific article

Antiferro- to ferromagnetic crossover in diphenoxido bridged Ni II 2 Mn II complexes derived from N 2 O 2 donor Schiff base ligands

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

Antiferromagnetism or Delocalized Spin in a Cu3S2 Core?

scientific article published on 01 March 2010

Asymmetric azido-copper(II) bridges: ferro- or antiferromagnetic? experimental and theoretical magneto-structural studies

scientific article published in July 2005

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

scientific article published on 01 January 2000

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

Borate-driven gatelike scaffolding using mesoporous materials functionalised with saccharides.

scientific article published in July 2009

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

Can large magnetic anisotropy and high spin really coexist?

scientific article published on 01 January 2008

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

scientific article

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)

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

article

Charge transport properties of spin crossover systems

scientific article published on January 2014

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

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

Coherent transport through spin-crossover single molecules

scientific article published on 29 December 2011

Color and Conductivity in Cu2O and CuAlO2: A Theoretical Analysis of d10···d10Interactions in Solid-State Compounds

article by Antonio Buljan et al published February 2001 in Chemistry of Materials

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

scientific article published on 24 July 2017

Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry

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 mu-carboxylato, NCN-bridged dinuclear copper compound

scientific article published in June 2001

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

scientific article published in 1994

Cu(II)-Gd(III) cryogenic magnetic refrigerants and Cu8Dy9 single-molecule magnet generated by in situ reactions of picolinaldehyde and acetylpyridine: experimental and theoretical study.

scientific article published on 21 November 2013

DFT approaches to transport calculations in magnetic single-molecule devices

Defining the Domain of Density Functionals: Charge-Transfer Complexes

scientific article published in 1995

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

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

scientific article published on 01 August 2005

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

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

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

scientific article published on 18 October 2011

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.

scientific article

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

scientific article published on 09 October 2015

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

scientific article published on 01 October 2019

Discovering the Complex Chemistry of a Simple NiII/H3L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds

scientific article published on 01 October 2009

Dual aperture control on pH- and anion-driven supramolecular nanoscopic hybrid gate-like ensembles

scientific article published on 23 January 2008

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

scientific article published on 10 June 2020

Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding

scientific article published on 01 November 2002

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

scientific article published on 01 June 2018

Effect of metal complexation on the conductance of single-molecular wires measured at room temperature

scientific article published on 2 June 2014

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

scientific article published on 24 July 2018

Electron Transfer in the [Pt(NH3)4]2+[W(CN)8]3-Donor−Acceptor System. The Environment Effect: A Time-Dependent Density Functional Study

scientific article published on 01 October 2001

Electronic Interactions in (η6-Arene) Ferracarboranes1

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

scientific article published on 15 July 2016

Electronic Structure and Bonding in CaC2

Electronic Structure and Bonding in CuMO2(M = Al, Ga, Y) Delafossite-Type Oxides: An Ab Initio Study

Electronic Structure and Dynamic Properties of Solid Alkali Cyanides

Electronic Structure of Host Lattices for Intercalation Compounds: SnS2, SnSe2, ZrS2, and TaS2

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

scientific article published on 28 December 2017

Electronic structure and properties of AlN

scientific article published on 01 March 1994

Electronic structure and properties of hexagonal wurtzite-type SiC

Electronic structure and properties ofCu2O

scholarly article in Physical Review B, vol. 56 no. 12, September 1997

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

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

scientific article published on 05 April 2012

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

scientific article

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

scientific article published on 01 November 2001

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

scientific article published on 01 July 2002

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

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

scientific article published on 01 May 2002

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

scientific article

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

scientific article

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

scientific article published on 05 April 2011

Exchange coupling constants using density functional theory: The M0X suite

article published in 2008

Exchange coupling in CuIIGdIII dinuclear complexes: A theoretical perspective

Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: a density functional study.

scientific article published in February 2001

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

scientific article published on 01 July 2005

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

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

scientific article published on 18 April 2012

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

Exchange interactions in azido-bridged ligand Ni(II) complexes: a theoretical analysis

scientific article published in April 2009

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

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

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

scientific article published in May 2010

Fatty acid carboxylate- and anionic surfactant-controlled delivery systems that use mesoporous silica supports

scientific article published on September 2010

Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear NiII2–MnII Complexes: Experimental Observations and Theoretical Rationalization

scientific article published on 11 August 2014

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

scientific article published on 01 January 2007

Ferromagnetic coupling in a 1D coordination polymer containing a symmetric [Cu(mu1,1-N3)2Cu(mu1,1-N3)2Cu]2+ core and based on an organic ligand obtained from the solid state.

scientific article published on 15 September 2007

Ferromagnetic interaction in mu1,3-cyanamido-derived copper(II) cryptates

scientific article published in December 2004

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

scientific article published on 13 June 2012

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

scientific article published in May 2015

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

article

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

scientific article published on 21 August 2014

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

Helical self-organization and hierarchical self-assembly of an oligoheterocyclic pyridine-pyridazine strand into extended supramolecular fibers

scientific article published in August 2002

Hexanuclear Copper(II) Cages Built on a Central {μ3–O···H···μ3–O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies

scientific article published on 24 May 2012

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

How to build molecules with large magnetic anisotropy.

scientific article published in January 2009

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

scientific article published on 23 December 2013

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.

scientific article

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

scientific article

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

scientific article published in 1995

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

article

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

article by Amit Kumar Mondal et al published 2017 in Chemical Communications

Is it possible to get high T(C) magnets with Prussian blue analogues? A theoretical prospect

scientific article published in March 2005

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.

scientific article

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

scientific article published on 16 December 2015

Large magnetic anisotropy in mononuclear metal complexes

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

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

Magnetic Bistability and Thermochromism in a Molecular CuIIChain

scientific article published on 01 February 2009

Magnetic Communication through Functionalized Nanotubes: A Theoretical Study

scientific article published on 01 March 2006

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

scientific article published in 1998

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

scientific article published on 01 July 2000

Magnetic Properties of Largest-Spin Single Molecule Magnets: Mn17Complexes—A Density Functional Theory Approach

scientific article published on 01 October 2010

Magnetic Structure of the Large-Spin Mn10and Mn19Complexes: A Theoretical Complement to an Experimental Milestone

scientific article published on 20 May 2008

Magnetic and transport properties of Fe4 single-molecule magnets: a theoretical insight

scientific article

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

Magnetic exchange interaction in triply bridged dinickel(II) complexes

Magnetic interactions mediated by diamagnetic cations in [Mn18M] (M = Sr2+, Y3+, Cd2+, and Lu3+) coordination clusters

scientific article published on 7 May 2013

Magnetization Slow Dynamics in Ferrocenium Complexes

scientific article published on 17 July 2019

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

Magneto-structural correlation studies and theoretical calculations of a unique family of single end-to-end azide-bridged Ni(II)4 cyclic clusters

scientific article

Magnetostructural Correlations in Polynuclear Complexes: The Fe4Butterflies

scientific article published on 01 December 2006

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

scientific article published on 18 February 2017

Metal-Organic Nanocapsules with Functionalized s-Heptazine Ligands

scientific article published on 23 December 2020

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

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

scientific article published on 14 September 2015

Molecules composed of two weakly magnetically coupled [MnIII4] clusters

scientific article published on 28 September 2007

Mononuclear FeIISingle-Molecule Magnets: A Theoretical Approach

scientific article published on 01 April 2011

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

article published in 2018

Mononuclear single-molecule magnets: tailoring the magnetic anisotropy of first-row transition-metal complexes.

scientific article published on 25 April 2013

Multiscale study of mononuclear Co SMMs based on curcuminoid ligands

scientific article published on 07 January 2016

Negatively charged metallacarborane redox couples with both members stable to air.

scientific article

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

scientific article published on 24 August 2015

Neutron Diffraction and Theoretical DFT Studies of Two Dimensional Molecular-Based Magnet K2[Mn(H2O)2]3[Mo(CN)7]2·6H2O

scientific article published on 01 February 2007

New oxamidato-bridged Cu(II)-Ni(II) complexes: supramolecular structures with thiocyanate ligands and hydrogen bonds. Magnetostructural studies: DFT calculations

scientific article published in December 2002

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

article by Ana I. S. Neves et al published 15 September 2011 in European Journal of Inorganic Chemistry

Novel CuIII bis-1,2-dichalcogenene complexes with tunable 3D framework through alkaline cation coordination: a structural and theoretical study

scientific article published in April 2004

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

scientific article published on 19 October 2007

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

scientific article published in July 2014

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

scientific article published on 02 November 2016

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

Quantitative Estimation of Ising-Type Magnetic Anisotropy in a Family of C3 -Symmetric CoII Complexes

scientific article published on 14 June 2017

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

scientific article published on 28 July 2016

Rational electrostatic design of easy-axis magnetic anisotropy in a Zn(II) -Dy(III) -Zn(II) single-molecule magnet with a high energy barrier

scientific article published on 24 September 2014

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

scientific article

Reversible chemisorption of sulfur dioxide in a spin crossover porous coordination polymer.

scientific article

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

scientific article published on 01 December 2002

ST= 22 [Mn10] Supertetrahedral Building-Block to Design Extended Magnetic Networks

scientific article published on 05 August 2011

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

scientific article published on 15 March 2007

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

Self-assembly of pentanuclear mesocate versus octanuclear helicate: size effect of the [M(II)3(μ3-O/X)]n+ triangle core

scientific article published on 27 December 2012

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

scientific article published on 3 February 2016

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

scientific article published on 01 April 2006

Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear DyIII Complexes

scientific article published on 15 November 2013

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

scientific article

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

scientific article published on 16 June 2009

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

scholarly article by Gabriel Brunet et al published 2017 in Journal of Materials Chemistry C

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

scientific article

Slow magnetic relaxation in a Co(II)-Y(III) single-ion magnet with positive axial zero-field splitting

scientific article

Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.

scientific article published on 19 December 2017

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

scientific article published on 01 March 2019

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

Spin densities in a ferromagnetic bimetallic chain compound: polarized neutron diffraction and DFT calculations

scientific article

Spin density distribution in transition metal complexes

Spin dynamics in single-molecule magnets and molecular qubits

scientific article published on 26 June 2020

Spin-crossover behavior in two new supramolecular isomers.

scientific article

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

scientific article published on 19 April 2013

Spins on a curved surface: an Fe(III)14 ferracalixarene

scientific article published on 15 May 2013

Squarato-metal(II) complexes. 2. unusual bonding mode for a squarato-bridged trinuclear copper(II) complex

scientific article published on 30 April 2008

Stereochemistry and spin state in four-coordinate transition metal compounds

scientific article

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

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

scientific article published on 01 January 2007

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

scientific article published on 01 August 1997

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

article published in 2010

Structure and magnetism of dinuclear copper(II) metallacyclophanes with oligoacenebis(oxamate) bridging ligands: theoretical predictions on wirelike magnetic coupling

scientific article

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

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

Structure, magnetic properties, polarized neutron diffraction, and theoretical study of a copper(II) cubane

scientific article

Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand

scientific article published on 10 June 2013

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

scientific article published on 01 April 2005

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

scientific article

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

scientific article published on 12 July 2010

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

scientific article published on 26 April 2010

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

scientific article published on 28 August 2012

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

scientific article published on 01 August 2003

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

scientific article published on 25 March 2011

The coloring problem in Ba2Cu3VS6 †

The dilemma of CrIIINiII exchange interactions: ferromagnetism versus antiferromagnetism

scientific article published on 28 June 2011

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

scientific article published on 01 June 2002

Theoretical Modeling of the Ligand-Tuning Effect over the Transition Temperature in Four-Coordinated Fe(II) Molecules

scientific article published on 29 January 2016

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

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

Theoretical Study of the Magnetic Behavior of Ferric Wheels

scientific article published on 01 June 2005

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

scientific article published on 01 June 2003

Theoretical Study of the Magnetic Properties of an Mn12Single-Molecule Magnet with a Loop Structure: The Role of the Next-Nearest Neighbor Interactions†

scientific article published on 01 May 2007

Theoretical approach to the magnetostructural correlations in the spin-Peierls compoundCuGeO3

scholarly article in Physical Review B, vol. 61 no. 1, January 2000

Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: the prototypical case of Cu2(OH)3NO3.

scientific article

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

Theoretical methods enlighten magnetic properties of a family of Mn(6) single-molecule magnets.

scientific article published in August 2009

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

Theoretical search for new ferromagnetically coupled transition metal complexes

article published in 1998

Theoretical study of exchange coupling constants in an Fe19 complex

Theoretical study of exchange coupling in 3d-Gd complexes: large magnetocaloric effect systems.

scientific article published on 14 June 2012

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

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

scientific article published on 06 March 2006

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

article published in 1999

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

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

Theoretical study of the intercalation of cobaltocene in metal chalcogenides

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

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

scientific article published in 1997

Triangular nickel complexes derived from 2-pyridylcyanoxime: an approach to the magnetic properties of the [Ni3(μ3-OH){pyC(R)NO}3]2+ core.

scientific article published on 15 February 2012

Tunable Magnetization Dynamics through Solid-State Ligand Substitution Reaction.

scientific article published on 17 July 2017

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

scientific article published on 14 June 2013

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

scientific article published on 30 May 2014

Unexpected ferromagnetic interaction in a new tetranuclear copper(II) complex: synthesis, crystal structure, magnetic properties, and theoretical studies.

scientific article published in July 2005

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

scientific article published in October 2013

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)]

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

scientific article published on 16 June 2020

[Cu3(μ-S)2]3+Clusters Supported by N-Donor Ligands: Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase

article

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

scientific article published on 07 August 2019

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