EPR Interactions - g -Anisotropy
book
January 2016
Introduction to Molecular Magnetism: From Transition Metals to Lanthanides
book
January 2015
A Porphyrin Spin Qubit and Its 2D Framework Nanosheets
journal
June 2018
Quantum Tunneling of Magnetization and Related Phenomena in Molecular Materials
journal
January 2003
The Origin of Nonmagnetic Kramers Doublets in the Ground State of Dysprosium Triangles: Evidence for a Toroidal Magnetic Moment
journal
May 2008
Quantum Information Processing Using Molecular Nanomagnets As Qubits
journal
October 2008
Slow Magnetic Relaxation in a Co II -Y III Single-Ion Magnet with Positive Axial Zero-Field Splitting
journal
July 2013
Geometry-Mediated Enhancement of Single-Ion Anisotropy: A Route to Single-Molecule Magnets with a High Blocking Temperature
journal
October 2013
A {Cr III 2 Dy III 2 } Single-Molecule Magnet: Enhancing the Blocking Temperature through 3d Magnetic Exchange
journal
September 2013
Recent Developments in Lanthanide Single-Molecule Magnets
journal
October 2017
Single Ion Magnets from 3d to 5f: Developments and Strategies
journal
March 2018
Spectroscopic Studies of the Magnetic Excitation and Spin‐Phonon Couplings in a Single‐Molecule Magnet
journal
November 2019
Role of Coordination Number and Geometry in Controlling the Magnetic Anisotropy in Fe II , Co II , and Ni II Single‐Ion Magnets
journal
October 2020
Applying Unconventional Spectroscopies to the Single‐Molecule Magnets, Co(PPh 3 ) 2 X 2 (X=Cl, Br, I): Unveiling Magnetic Transitions and Spin‐Phonon Coupling
journal
June 2021
Molecular Spin Clusters: New Synthetic Approaches and Neutron Scattering Studies
journal
September 2003
Neutron Instruments for Research in Coordination Chemistry: Neutron Instruments for Research in Coordination Chemistry
journal
January 2019
Probing Magnetic Excitations in Co II Single-Molecule Magnets by Inelastic Neutron Scattering: Probing Magnetic Excitations in Co II Single-Molecule Magnets by Inelastic Neutron Scattering
journal
December 2018
Inelastic Neutron Scattering of Lanthanoid Complexes and Single-Molecule Magnets: Inelastic Neutron Scattering of Lanthanoid Complexes and Single-Molecule Magnets
journal
February 2019
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table : Molcas 8
journal
November 2015
Ultrawide Band Multifrequency High-Field EMR Technique: A Methodology for Increasing Spectroscopic Information
journal
February 2000
Formal Theory of Spin–Lattice Relaxation
journal
April 2001
Molecular Nanomagnets and Related Phenomena
book
January 2015
Multireference perturbation configuration interaction V. Third-order energy contributions in the M�ller?Plesset and Epstein?Nesbet partitions
journal
May 2002
Advanced Magnetic Resonance Studies of Tetraphenylporphyrinatoiron(III) Halides
journal
October 2020
A mean-field spin-orbit method applicable to correlated wavefunctions
journal
March 1996
Magnetic circular dichroism spectroscopy as a probe of the geometric and electronic structure of non-heme ferrous enzymes
journal
October 1995
Symmetry constraints on EPR spin-Hamiltonian parameters
journal
August 1987
Far-infrared studies on hemin and hemin-like complexes
journal
March 1971
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
journal
December 2001
Effective g values for S = 3/2 and S = 5/2
journal
September 1978
Zero-field splitting in metal complexes
journal
May 2004
Thermo-, piezo-, photo- and chemo-switchable spin crossover iron(II)-metallocyanate based coordination polymers
journal
September 2011
Large magnetic anisotropy in mononuclear metal complexes
journal
April 2015
Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective
journal
August 2017
Single-Molecule Magnets: From Mn12-ac to dysprosium metallocenes, a travel in time
journal
August 2021
Bimetallic metal–organic frameworks and MOF-derived composites: Recent progress on electro- and photoelectrocatalytic applications
journal
January 2022
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
journal
January 2006
Resolution of VISION, a crystal-analyzer spectrometer
Seeger, Philip A.; Daemen, Luke L.; Larese, John Z.
Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 604, Issue 3
https://doi.org/10.1016/j.nima.2009.03.204
journal
June 2009
Spin decoherence in an iron-based magnetic cluster
journal
November 2011
Magnetic anisotropy and slow magnetic relaxation of seven-coordinate cobalt(II)–nitrate complexes
journal
November 2018
Manganese tetraphenylporphyrin bromide and iodide. Studies of structures and magnetic properties
journal
July 2020
First principles phonon calculations in materials science
journal
November 2015
Forging Solid-State Qubit Design Principles in a Molecular Furnace
journal
February 2017
Inter-Kramers Transitions and Spin–Phonon Couplings in a Lanthanide-Based Single-Molecule Magnet
journal
March 2020
Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
journal
November 2020
Spectroscopic Analysis of Vibronic Relaxation Pathways in Molecular Spin Qubit [Ho(W 5 O 18 ) 2 ] 9– : Sparse Spectra Are Key
journal
August 2021
Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies
journal
May 2016
Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy
journal
December 2016
Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction
journal
June 2018
Fighting at the Interface: Structural Evolution during Heteroepitaxial Growth of Cyanometallate Coordination Polymers
journal
July 2018
Coligand Effects on the Field-Induced Double Slow Magnetic Relaxation in Six-Coordinate Cobalt(II) Single-Ion Magnets (SIMs) with Positive Magnetic Anisotropy
journal
November 2019
Simulation of Inelastic Neutron Scattering Spectra Using OCLIMAX
journal
January 2019
Harnessing Colossal Magnetic Anisotropy in Sandwiched 3d2 -Metallocenes
journal
May 2022
Analysis of Exchange Interactions in Dimers of Mn 3 Single-Molecule Magnets, and Their Sensitivity to External Pressure
journal
June 2020
Fine-Tuning of Uniaxial Anisotropy and Slow Relaxation of Magnetization in the Hexacoordinate Co(II) Complexes with Acidoligands
journal
November 2020
Characteristics of Single-Molecule Magnet Dimers ([Mn 3 ] 2 ) on Graphene and h -BN
journal
December 2020
Toward Long-Range Entanglement between Electrically Driven Single-Molecule Magnets
journal
November 2019
Millisecond Coherence Time in a Tunable Molecular Electronic Spin Qubit
journal
December 2015
Tuning Transverse Anisotropy in Co III –Co II –Co III Mixed-Valence Complex toward Slow Magnetic Relaxation
journal
September 2013
Magnetic Excitations in Metalloporphyrins by Inelastic Neutron Scattering: Determination of Zero-Field Splittings in Iron, Manganese, and Chromium Complexes
journal
December 2013
Definitive Spectroscopic Determination of Zero-Field Splitting in High-Spin Cobalt(II)
journal
January 2004
Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy
journal
September 2012
Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes
journal
April 2013
Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes
journal
August 2014
Record Antiferromagnetic Coupling for a 3d/4d Cyanide-Bridged Compound
journal
June 2014
Structure, Magnetism, and Theoretical Study of a Mixed-Valence Co II 3 Co III 4 Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy
journal
September 2008
Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni II Se 4 Coordination Complex
journal
September 2015
Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible “On” and “Off” Exchange Bias Behavior
journal
November 2015
Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety
journal
August 2016
A Porous Array of Clock Qubits
journal
May 2017
Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal–Organic Framework
journal
August 2018
A delocalized arene-bridged diuranium single-molecule magnet
journal
April 2011
Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy
journal
July 2014
Spin–phonon couplings in transition metal complexes with slow magnetic relaxation
journal
July 2018
Single-Chain Magnets Based on Octacyanotungstate with the Highest Energy Barriers for Cyanide Compounds
journal
April 2016
Frequency domain Fourier transform THz-EPR on single molecule magnets using coherent synchrotron radiation
journal
January 2009
The fruitful introduction of chirality and control of absolute configurations in molecular magnets
journal
January 2011
Design of magnetic coordination complexes for quantum computing
journal
January 2012
Exploiting single-ion anisotropy in the design of f-element single-molecule magnets
journal
January 2011
Slow magnetic relaxation in a pseudotetrahedral cobalt(ii) complex with easy-plane anisotropy
journal
January 2012
Slow magnetization dynamics in a series of two-coordinate iron( ii ) complexes
journal
January 2013
Field-induced slow relaxation of magnetization in a tetrahedral Co(ii) complex with easy plane anisotropy
journal
January 2013
Slow magnetic relaxation in mononuclear seven-coordinate cobalt( ii ) complexes with easy plane anisotropy
journal
January 2015
Coherence and organisation in lanthanoid complexes: from single ion magnets to spin qubits
journal
January 2016
The rise of 3-d single-ion magnets in molecular magnetism: towards materials from molecules?
journal
January 2016
Molecular qubits based on potentially nuclear-spin-free nickel ions
journal
January 2017
Measuring giant anisotropy in paramagnetic transition metal complexes with relevance to single-ion magnetism
journal
January 2016
Designing anisotropic cyanometallate coordination polymers with unidirectional thermal expansion (TE): 2D zero and 1D colossal positive TE
journal
January 2018
Magnetic functionalities in MOFs: from the framework to the pore
journal
January 2018
Determination of zero-field splitting in Co2+ halide complexes with magnetic and far-IR measurements
journal
January 2017
Two-dimensional frameworks formed by pentagonal bipyramidal cobalt( ii ) ions and hexacyanometallates: antiferromagnetic ordering, metamagnetism and slow magnetic relaxation
journal
January 2017
Rapid and precise determination of zero-field splittings by terahertz time-domain electron paramagnetic resonance spectroscopy
journal
January 2017
Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets
journal
January 2017
Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective
journal
January 2018
Effect of magnetic fields on the methyl rotation in a paramagnetic cobalt( ii ) complex. Quasielastic neutron scattering studies
journal
January 2018
Magnetic anisotropy and slow magnetic relaxation processes of cobalt(ii)-pseudohalide complexes
journal
January 2019
The dynamic ligand field of a molecular qubit: decoherence through spin–phonon coupling
journal
January 2020
Magnetic anisotropy in square pyramidal cobalt(ii) complexes supported by a tetraazo macrocyclic ligand
journal
January 2020
Magnetic anisotropy of two tetrahedral Co(ii)-halide complexes with triphenylphosphine ligands
journal
January 2022
Large easy-axis magnetic anisotropy in a series of trigonal prismatic mononuclear cobalt(ii) complexes with zero-field hidden single-molecule magnet behaviour: the important role of the distortion of the coordination sphere and intermolecular interactions in the slow relaxation
journal
January 2022
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal
January 2005
Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles
journal
January 2009
A concentrated array of copper porphyrin candidate qubits
journal
January 2019
Metal–ligand covalency enables room temperature molecular qubit candidates
journal
January 2019
Spin dynamics in single-molecule magnets and molecular qubits
journal
January 2020
Introduction of n -electron valence states for multireference perturbation theory
journal
June 2001
n -electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
journal
November 2002
Far‐Infrared Magnetic Resonance in Fe(III) and Mn(III) Porphyrins, Myoglobin, Hemoglobin, Ferrichrome A, and Fe(III) Dithiocarbamates
journal
May 1971
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
journal
August 1992
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
journal
April 1994
Spin coherence in a Mn3 single-molecule magnet
journal
January 2016
Far infrared spectra of magnetic ions in crystals
journal
September 1972
Chemical accuracy for the van der Waals density functional
journal
December 2009
Nuclear Induction
journal
October 1946
Projector augmented-wave method
journal
December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal
October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method
journal
January 1999
First-principles prediction of redox potentials in transition-metal compounds with LDA + U
journal
December 2004
Oxidation energies of transition metal oxides within the GGA + U framework
journal
May 2006
Electronic structure and bonding properties of cobalt oxide in the spinel structure
journal
June 2011
Accurate and unequivocal determination of the crystal-field parameters of lanthanide ions via a multitechnique approach
journal
April 2019
Direct Observation of Quantum Coherence in Single-Molecule Magnets
journal
October 2008
Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework
journal
June 2017
Generalized Gradient Approximation Made Simple
journal
October 1996
Will Spin-Relaxation Times in Molecular Magnets Permit Quantum Information Processing?
journal
January 2007
How do phonons relax molecular spins?
journal
September 2019
Quantum Coherence in an Exchange-Coupled Dimer of Single-Molecule Magnets
journal
November 2003
A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state
journal
November 2018
A chemical path to quantum information
journal
November 2019
Vibrational Spectroscopy with Neutrons
book
June 2005
Direct Observation of Magnetic Transitions in a Nickel(Ⅱ) Complex with Large Anisotropy
journal
January 2020
The Rise of Single-Ion Magnets as Spin Qubits
journal
November 2016