Spin states, vibrations and spin relaxation in molecular nanomagnets and spin qubits: a critical perspective

A New Bis(phthalocyaninato) Terbium Single-Ion Magnet with an Overall Excellent Magnetic Performance

(2017) Yuxiang Chen et al.   INORGANIC CHEMISTRY

Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets

(2017) L. Escalera-Moreno et al.   Journal of Physical Chemistry Letters

Materials science: Magnetic molecules back in the race

(2017) Roberta Sessoli   NATURE

Molecular magnetic hysteresis at 60 kelvin in dysprosocenium

(2017) Conrad A. P. Goodwin et al.   NATURE

Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets

(2017) Alessandro Lunghi et al.   Chemical Science

The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets

(2017) Alessandro Lunghi et al.   Nature Communications

Giant Hysteresis of Single-Molecule Magnets Adsorbed on a Nonmagnetic Insulator

(2016) Christian Wäckerlin et al.   ADVANCED MATERIALS

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

(2016) José J. Baldoví et al.   CHEMISTRY-A EUROPEAN JOURNAL

Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory

(2016) Daniel Aravena et al.   INORGANIC CHEMISTRY

SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence

(2016) Salvador Cardona-Serra et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety

(2016) Matteo Atzori et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Room-Temperature Quantum Coherence and Rabi Oscillations in Vanadyl Phthalocyanine: Toward Multifunctional Molecular Spin Qubits

(2016) Matteo Atzori et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhancing coherence in molecular spin qubits via atomic clock transitions

(2016) Muhandis Shiddiq et al.   NATURE

A general forcefield for accurate phonon properties of metal–organic frameworks

(2016) Jessica K. Bristow et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Magnetic remanence in single atoms

(2016) F. Donati et al.   SCIENCE

An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature

(2016) Sandeep K. Gupta et al.   Chemical Science

Coherence and organisation in lanthanoid complexes: from single ion magnets to spin qubits

(2016) Alejandro Gaita-Ariño et al.   Inorganic Chemistry Frontiers

Improving f-element single molecule magnets

(2015) Stephen T. Liddle et al.   CHEMICAL SOCIETY REVIEWS

Comprehensive insight into molecular magnetism via CONDON: Full vs. effective models

(2015) Jan van Leusen et al.   COORDINATION CHEMISTRY REVIEWS

Design Criteria for High-Temperature Single-Molecule Magnets

(2015) Nicholas F. Chilton   INORGANIC CHEMISTRY

Design of Single-Molecule Magnets: Insufficiency of the Anisotropy Barrier as the Sole Criterion

(2015) Kasper S. Pedersen et al.   INORGANIC CHEMISTRY

Determination of Magnetic Anisotropy in the LnTRENSAL Complexes (Ln = Tb, Dy, Er) by Torque Magnetometry

(2015) Mauro Perfetti et al.   INORGANIC CHEMISTRY

Microscopic theory of cooperative spin crossover: Interaction of molecular modes with phonons

(2015) Andrew Palii et al.   JOURNAL OF CHEMICAL PHYSICS

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

(2015) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Phonon spectrum, electron spin–lattice relaxation and spin–phonon coupling of Cu2+ ions in BaF2 crystal

(2015) Stanislaw K. Hoffmann et al.   JOURNAL OF MAGNETIC RESONANCE

Toward the Quantum Computer: Magnetic Molecules Back in the Race

(2015) Roberta Sessoli   ACS Central Science

Millisecond Coherence Time in a Tunable Molecular Electronic Spin Qubit

(2015) Joseph M. Zadrozny et al.   ACS Central Science

Fine-tuning the Local Symmetry to Attain Record Blocking Temperature and Magnetic Remanence in a Single-Ion Magnet

(2014) Liviu Ungur et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrically driven nuclear spin resonance in single-molecule magnets

(2014) S. Thiele et al.   SCIENCE

Room temperature quantum coherence in a potential molecular qubit

(2014) Katharina Bader et al.   Nature Communications

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

(2013) Daniel Aravena et al.   INORGANIC CHEMISTRY

SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions

(2013) José J. Baldoví et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Magnetic relaxation pathways in lanthanide single-molecule magnets

(2013) Robin J. Blagg et al.   Nature Chemistry

Magnetic blocking in a linear iron(I) complex

(2013) Joseph M. Zadrozny et al.   Nature Chemistry

An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes

(2013) Nicholas F. Chilton et al.   Nature Communications

Modeling the properties of lanthanoid single-ion magnets using an effective point-charge approach

(2012) José J. Baldoví et al.   DALTON TRANSACTIONS

Rational Design of Single-Ion Magnets and Spin Qubits Based on Mononuclear Lanthanoid Complexes

(2012) José J. Baldoví et al.   INORGANIC CHEMISTRY

Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation

(2012) L. F. Chibotaru et al.   JOURNAL OF CHEMICAL PHYSICS

Raman electron spin–lattice relaxation with the Debye-type and with real phonon spectra in crystals

(2012) Stanislaw K. Hoffmann et al.   JOURNAL OF MAGNETIC RESONANCE

Molecular spintronics

(2011) Stefano Sanvito   CHEMICAL SOCIETY REVIEWS

Exploiting single-ion anisotropy in the design of f-element single-molecule magnets

(2011) Jeffrey D. Rinehart et al.   Chemical Science

Recipes for enhanced molecular cooling

(2010) Marco Evangelisti et al.   DALTON TRANSACTIONS

A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr3+ center in MgO crystal

(2010) Wen-Chen Zheng et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Magnetic memory of a single-molecule quantum magnet wired to a gold surface

(2009) Matteo Mannini et al.   NATURE MATERIALS

Strategies towards single molecule magnets based on lanthanide ions

(2008) Roberta Sessoli et al.   COORDINATION CHEMISTRY REVIEWS