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

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

(2016) Daniel Aravena et al.   INORGANIC CHEMISTRY

Multitechnique investigation of Dy3 – implications for coupled lanthanide clusters

(2016) Maren Gysler et al.   Chemical Science

Improving f-element single molecule magnets

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

Large magnetic anisotropy in mononuclear metal complexes

(2015) Silvia Gómez-Coca et al.   COORDINATION CHEMISTRY REVIEWS

Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

(2015) José J. Baldoví et al.   DALTON TRANSACTIONS

Comprehensive Spectroscopic Determination of the Crystal Field Splitting in an Erbium Single-Ion Magnet

(2015) Yvonne Rechkemmer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Angular-Resolved Magnetometry Beyond Triclinic Crystals Part II: Torque Magnetometry of Cp*ErCOT Single-Molecule Magnets

(2014) Mauro Perfetti et al.   CHEMISTRY-A EUROPEAN JOURNAL

Construction of a General Library for the Rational Design of Nanomagnets and Spin Qubits Based on Mononuclear f-Block Complexes. The Polyoxometalate Case

(2014) José J. Baldoví et al.   INORGANIC CHEMISTRY

An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters

(2014) José J. Baldoví et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation

(2014) Kasper S. Pedersen et al.   Chemical Science

Spectroscopic determination of crystal field splittings in lanthanide double deckers

(2014) R. Marx et al.   Chemical Science

Direct measurement of dysprosium(III)˙˙˙dysprosium(III) interactions in a single-molecule magnet

(2014) Eufemio Moreno Pineda et al.   Nature Communications

Lanthanide Single-Molecule Magnets

(2013) Daniel N. Woodruff et al.   CHEMICAL REVIEWS

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

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

(2012) José Ruiz et al.   CHEMICAL 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

Molecular spins for quantum information technologies

(2011) Filippo Troiani et al.   CHEMICAL SOCIETY REVIEWS

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

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

A Mononuclear Dysprosium Complex Featuring Single-Molecule-Magnet Behavior

(2010) Shang-Da Jiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Total spontaneous resolution of nine-coordinate complexes

(2009) Anders Lennartson et al.   CRYSTENGCOMM

MOLCAS 7: The Next Generation

(2009) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mononuclear Lanthanide Single-Molecule Magnets Based on Polyoxometalates

(2008) Murad A. AlDamen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY