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Unravelling the electronic structure, bonding, and magnetic properties of inorganic dysprosocene analogues [Dy(E4)2]− (E = N, P, As, CH)

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Spin coherence phenomena of an S = 1/2 copper(ii) system in a polyoxometalate with a less-abundant nuclear spin

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Dalton Trans., 2025, 54, 3581
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Slow magnetic relaxation of a S = 1/2 copper(ii)-substituted Keggin-type silicotungstate

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Dalton Trans., 2023, 52, 4678
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Dy3+ single ion magnet in the extended inorganic solid Ca(Y,Dy)AlO4

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New series of mononuclear β-diketonate cerium(iii) field induced single-molecule magnets

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Luminescence, CPL and magnetic properties of 1D enantiopure Ln3+complexes with (S-) and (R-) α-methoxyphenylacetate ligand

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Dalton Trans., 2023, 52, 1122
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Taming salophen in rare earth metallocene chemistry

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Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and ab initio ligand field analyses of correlations between dihedral angles and magnetic anisotropy

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Chem. Sci., 2023, 14, 6355
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The interpretation and prediction of lanthanide single-ion magnets fromab initioelectronic structure calculation: the capability and limit

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Dalton Trans., 2022, 51, 14793
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Two types of Ln2Cu2 hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation

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Dalton Trans., 2021, 50, 12275
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Heterometallic clusters based on an uncommon asymmetric “V-shaped” [Fe3+(μ-OR)Ln3+(μ-OR)2Fe3+]6+ (Ln = Gd, Tb, Dy, Ho) structural core and the investigation of the slow relaxation of the magnetization behaviour of the [Fe2Dy] analogue

Maria Savva, Dimitris I. Alexandropoulos, Michael Pissas, Spyros P. Perlepes, Constantina Papatriantafyllopoulou, Yiannis Sanakis and Anastasios J. Tasiopoulos

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Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation

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Chem. Sci., 2024, 15, 19834
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Systems-chart approach to the design of spin relaxation times in molecular qubits

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Blocking like it's hot: a synthetic chemists’ path to high-temperature lanthanide single molecule magnets

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Regulating the magnetic properties of seven-coordinated Dy(iii) single-ion magnets through the effect of positional isomers on axial crystal-field

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Dalton Trans., 2021, 50, 17328
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The coexistence of longτQTMand highUeffas a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets

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Tunable magnetic anisotropy in luminescent cyanido-bridged {Dy2Pt3} molecules incorporating heteroligand PtIVlinkers

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Dalton Trans., 2021, 50, 16242
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Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy2 supramolecular architectures constructed with the bis-β-diketonate-Dy2 building block as a metalloligand

Jiamin Tang, Sheng Zhang, Linzhou Li, Linbin Yao, Ronghu Zhang, Bing Yin and Jiangwei Zhang

Dalton Trans., 2023, 52, 1366
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The rationalized pathway from field-induced slow magnetic relaxation in CoII–WIV chains to single-chain magnetism in isotopological CoII–WV analogues

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Multifunctionality of luminescent molecular nanomagnets based on lanthanide complexes

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Single molecule magnets of cobalt and zinc homo- and heterometallic coordination polymers prepared by a one-step synthetic procedure

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Understanding Single-Molecule Magnet properties of lanthanide complexes from 4f orbital splitting

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Effect of an axial coordination environment on quantum tunnelling of magnetization for dysprosium single-ion magnets with theoretical insight

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Impact of ligand chlorination and counterion tuning on high-field spin relaxation in a series of V(iv) complexes

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Dalton Trans., 2023, 52, 10805
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Understanding electrostatics and covalency effects in highly anisotropic organometallic sandwich dysprosium complexes [Dy(CmRm)2] (where R = H, SiH3, CH3 and m = 4 to 9): a computational perspective

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

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Phys. Chem. Chem. Phys., 2021, 23, 1976
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Modulating quantum tunnelling of magnetization in Dy isotopologue dimers

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Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(iii) complexes

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Lanthanide single molecule magnets: relation between crystal packing and tunnelling relaxation time

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Quantum coherence enhancement through control of metal–ligand covalency: modulating spin–orbit coupling in isostructural molecular qubits

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Chem. Sci., 2026
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A reaction-coordinate perspective of magnetic relaxation

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Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes

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Probing magnetic and vibrational properties of trigonal-bipyramidal Co(ii) and Ni(ii) complexes using advanced spectroscopies

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A theoretical study of laser-induced ultrafast spin dynamics in trigonal monopyramidal iron and nickel complexes

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Ab initioprediction of key parameters and magneto-structural correlation of tetracoordinated lanthanide single-ion magnets

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Light-induced spin-state switching in heterospin complexes of Cu(hfac)2 with pyridine-based nitroxides

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Different roles of similar aromatic rings in half-sandwich lanthanide single-ion magnets unravelled by ab initio electronic structure calculations

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From unprecedented 2,2′-bisimidazole-bridged rare earth organometallics to magnetic hysteresis in the dysprosium congener

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Unusual slow magnetic relaxation in a sulfate-bridged copper(ii) complex with 1-(2-pyridylazo)-2-naphthol ligand

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Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy3+compounds by the introduction of both electron-withdrawing and -donating groups

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Dalton Trans., 2021, 50, 12607
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The anisotropy of the internal magnetic field on the central ion is capable of imposing great impact on the quantum tunneling of magnetization of Kramers single-ion magnets

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Cerium(iii) and 5-methylisophthalate-based MOFs with slow relaxation of magnetization and photoluminescence emission

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SHG-active NIR-emissive molecular nanomagnets generated in layered neodymium(iii)–octacyanidometallate(iv) frameworks

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J. Mater. Chem. C, 2021, 9, 10705
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Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material

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Deciphering the Role of Anions and Secondary Coordination Sphere in Tuning Anisotropy in Dy(III) Air‐Stable D5h SIMs**

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Chemistry A European J, 2022, 28
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Auxiliary Rather Than Dominant. The Role of Direct Dy–S Coordination in Single-Molecule Magnet Unveiled via ab initio Study

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J. Phys. Chem. A, 2024, 128, 5285
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Theoretical analyses of actinide single-atom magnetic behavior: Spin-vibration coupling and spin relaxation dynamics of single uranium atom on MgO/Ag(100)

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Lanthanide molecular nanomagnets as probabilistic bits

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Multi-Technique Experimental Benchmarking of the Local Magnetic Anisotropy of a Cobalt(II) Single-Ion Magnet

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Peroxide Ligands Support Tetranuclear Lanthanide Ensembles: Synthesis, Structure, Magnetism, and Theoretical Studies

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Inductive detection of temperature-induced magnetization dynamics of molecular spin systems

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THz‐EPR‐based Magneto‐Structural Correlations for Cobalt(II) Single‐Ion Magnets With Bis‐Chelate Coordination

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Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets

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Multireference Study of Optically Addressable Vanadium-Based Molecular Qubit Candidates

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Levamisole Based Co(II) Single‐Ion Magnet

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Fast, accurate, and error-resilient variational quantum noise spectroscopy

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Unravelling the Role of Sterically Encumbered Ligands in Tuning the Magnetic Properties of Lanthanide‐Based D5h Single‐Ion Magnets

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Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of Its Magnetic Behavior

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Synergy of Experiment and Broadened Exploration of Ab Initio Calculations for Understanding of Lanthanide–Pentacyanidocobaltate Molecular Nanomagnets and Their Optical Properties

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Applying Unconventional Spectroscopies to the Single‐Molecule Magnets, Co(PPh3)2X2 (X=Cl, Br, I): Unveiling Magnetic Transitions and Spin‐Phonon Coupling

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Molecular magnetic properties of a dysprosium(III) complex coordinated to a nonadentate bispidine ligand

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Three Single‐Ion Magnet Candidates from Erbium(III) Squarate Complexes in Relation with a Square‐Antiprismatic Coordination Structure

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Floquet engineering clock transitions in magnetic molecules

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Switching the Local Symmetry from D5h to D4h for Single-Molecule Magnets by Non-Coordinating Solvents

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Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets

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Complexes of Lanthanide (Dy, Er, Yb) Thiocyanates with Tetramethylphenanthroline. Synthesis, Thermolysis, and SMM Properties

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Magnetic modification of Dy-phthalocyanine single-molecule magnet by Co-crystallizing diamagnetic Y-phthalocyanine

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Synthesis, crystal structure and magnetic properties of mer-tricyanidoiron(III) precursor-based 1D heterobimetallic complexes

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Advanced Spectroscopic and Computational Studies of a Cobalt(II) Coordination Polymer with Single-Ion-Magnet Properties

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Rapid scan ESR: A versatile tool for the spin relaxation studies at (sub)THz frequencies

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Equatorially Positioned Halogen Ligand Effects on Single-Molecule Magnetism in a Mononuclear Dy(III) Octahedral Structure

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Rare Nuclearities and Unprecedented Structural Motifs in Manganese Cluster Chemistry from the Combined Use of Di-2-Pyridyl Ketone with Selected Diols

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Oxygen-Donor Metalloligands Induce Slow Magnetization Relaxation in Zero Field for a Cobalt(II) Complex with {CoO4} Motif

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First-Principles Investigations of Magnetic Anisotropy and Spin-Crossover Behavior of Fe(III)–TBP Complexes

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Slow Magnetic Relaxation and Luminescent Properties of Mononuclear Lanthanide-Substituted Keggin-Type Polyoxotungstates with Compartmental Organic Ligands

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Chemisorption of lanthanide single-molecule magnets on surfaces

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Strong Relativistic Effects in Lanthanide-Based Single-Molecule Magnets

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Two-component relativistic equation-of-motion coupled cluster for electron ionization

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Macrocyclic Hexagonal Bipyramidal Dy(III)-Based Single-Molecule Magnets with a D6h Symmetry

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Unravelling the Reason for Transition from the Field-Induced Single-Molecule Magnet to Zero-Field One in a Group of Dysprosium Complexes via Ab Initio Calculation

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Unlocking Ultrafast Spin Transfer in Single-Magnetic-Center-Decorated Triangulene Systems

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

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Influence of synthesis conditions on the preparation of mononuclear Dy(III) compounds based on β-diketone ligands: Synthesis, structure, magnetic behavior and theoretical analysis

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Effect of Spin–Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes

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Comprehensive Studies of Magnetic Transitions and Spin–Phonon Couplings in the Tetrahedral Cobalt Complex Co(AsPh3)2I2

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Theoretical Investigations on the Molecular Magnetic Behavior of Actinide Molecules [AnPc2]0/– (An = U, Cf): Prediction of the High Magnetic Blocking Barrier and Magnetic Blocking Temperature in [CfPc2]−

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Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2–

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Slow Magnetic Relaxation in a Rare, Neutral, Formally Divalent Terbium Bis(amide) Complex

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Metallocyclic CuII–LnIII Single-Molecule Magnets from the Self-Assembly of 1,4-Diformylnaphthalene-2,3-diol

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Theoretical Magnetic Relaxation and Spin–Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues

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Dipolar Coupling as a Mechanism for Fine Control of Magnetic States in ErCOT-Alkyl Molecular Magnets

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Trinuclear ZnII-LnIII Complexes: Single-Ion Magnet Behavior in the Zn2Dy Analogue

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Near-Infrared Emissive Cyanido-Bridged {YbFe2} Molecular Nanomagnets Sensitive to the Nitrile Solvents of Crystallization

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Coding in Diffusion-Based Molecular Nanonetworks: A Comprehensive Survey

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Coherent Spin Manipulation in Mononuclear Gadolinium-Substituted Polyoxometalate–Organic Hybrids

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Get under the Umbrella: A Comprehensive Gateway for Researchers on Lanthanide‐Based Single‐Molecule Magnets

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Laser-Controlled Implementation of Controlled-NOT, Hadamard, SWAP, and Pauli Gates as Well as Generation of Bell States in a 3d–4f Molecular Magnet

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Application of pulsed heating in time-resolved EPR spectroscopy for longitudinal relaxation measurements

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Molecular transistors as substitutes for quantum information applications

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

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Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K

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The effect of axial ligands on the magnetic properties of oxygen-coordinated Dy-SMMs: Theoretical insights

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A DyIII single-ion magnet with D5h configuration

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Transverse Square Toroidal Vortices with Giant Ferrotoroidic Coupling in Dy‐Bridged Single‐Molecule Toroics

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Theoretical and Experimental Studies of the Magnetostructural Correlations in Mononuclear DyIII Compounds Evidenced by Quantum Tunneling of Magnetization Time, Crystal Field Parameters, and Point Charge Electrostatic Model

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Localized π Surface States on 2D Molybdenum Disulfide from Carbene-Functionalization as a Qubit Design Strategy

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Single‐Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High Spin and 5/2–3/2 Spin Admixture

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Theoretical Study of Pentacoordinated Lanthanide Single-Ion Magnets via Ab Initio Electronic Structure Calculation

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Spin and Phonon Design in Modular Arrays of Molecular Qubits

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Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets

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Spin Qubit in a 2D GdIIINaI‐Based Oxamato Supramolecular Coordination Framework

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Lanthanoid Complexes as Molecular Materials: The Redox Approach

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An Ab Initio Calculation and Feature Attribution Analysis Study on Bipyramidal Mononuclear Dysprosium Complexes: Magnetic Anisotropy, Single-Molecule Magnet Property, and the Effect of Covalency

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Orientationally Resolved Electron-Spin Relaxation and Coherence in Fullerene-Encapsulated Rare-Earth Dimers with a Single-Electron Metal–Metal Bond

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New Materials and Effects in Molecular Nanomagnets

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Optical gating in electronically bistable spin systems for quantum science

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Utilization of diamagnetic Zn(II) ion to boost the anisotropic nature of Ln(III) ion in heterodinuclear Zn(II)–Ln(III) single‐molecule magnets

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