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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante
,
Jochen Autschbach
,
Rebecca K. Carlson
,
Liviu Chibotaru
,
Mickaël G. Delcey
et al.
Journal articles
hal-01409053v1
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A High-Temperature Molecular Ferroelectric Zn/Dy Complex Exhibiting Single-Ion-Magnet Behavior and Lanthanide Luminescence
Jérôme Long
,
Jérôme Rouquette
,
Jean-Marc Thibaud
,
Rute A.S. Ferreira
,
Luis D. Carlos
et al.
Journal articles
istex
hal-01899652v1
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A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K
Jiang Liu
,
Yan-Cong Chen
,
Jun-Liang Liu
,
Veacheslav Vieru
,
Liviu Ungur
et al.
Journal articles
hal-01971368v1
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Synchronous Temperature and Magnetic Field Dual‐Sensing by Luminescence in a Dysprosium Single‐Molecule Magnet
Rute Ferreira
,
Ekaterina Mamontova
,
Alexandre Botas
,
Mikhail Shestakov
,
Johan Vanacken
et al.
Journal articles
hal-03472542v1
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OpenMolcas: From Source Code to Insight
Ignacio Fdez. Galván
,
Morgane Vacher
,
Ali Alavi
,
Celestino Angeli
,
Francesco Aquilante
et al.
Journal articles
hal-02532225v1
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Effects of the Exchange Coupling on Dynamic Properties in a Series of CoGdCo Complexes
Jean- Pierre Costes
,
Ghenadie Novitchi
,
Veacheslav Vieru
,
Liviu Chibotaru
,
Carine Guyard-Duhayon
et al.
Journal articles
hal-01991167v1
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Toward a Microscopic Understanding of the Magnetization Behavior of a Multimolecular Single Crystal of Radical-Bridged [Dy III 4 ] Cubane Units: A Joint Ab Initio, Micro-Superconducting Quantum Interference Device, and Electron Paramagnetic Resonance Study
Veacheslav Vieru
,
Naoya Iwahara
,
Dorsa Komijani
,
Stephen Hill
,
Wolfgang Wernsdorfer
et al.
Journal articles
hal-01978044v1
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Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets
Ghenadie Novitchi
,
Guillaume Pilet
,
Liviu Ungur
,
Victor V. Moshchalkov
,
Wolfgang Wernsdorfer
et al.
Journal articles
hal-01882250v1
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Design of Fe III –Ln III binuclear complexes using compartmental ligands: synthesis, crystal structures, magnetic properties, and ab initio analysis
Cyrille Train
,
Alexandru Topor
,
Dan Liu
,
Catalin Maxim
,
Ghenadie Novitchi
et al.
Journal articles
hal-03472113v1
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Dysprosium Single-Molecule Magnets with Bulky Schiff Base Ligands: Modification of the Slow Relaxation of the Magnetization by Substituent Change
Jérôme Long
,
Ivan Basalov
,
Natalia Forosenko
,
Konstantin A. Lyssenko
,
Ekaterina Mamontova
et al.
Journal articles
hal-01980996v1
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Determination of the electronic structure of a dinuclear dysprosium single molecule magnet without symmetry idealization
Mauro Perfetti
,
Maren Gysler
,
Yvonne Rechkemmer-Patalen
,
Peng Zhang
,
Hatice Taştan
et al.
Journal articles
hal-02324547v1
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Hyperfine-Interaction-Driven Suppression of Quantum Tunneling at Zero Field in a Holmium(III) Single-Ion Magnet
Yan-Cong Chen
,
Jun-Liang Liu
,
Wolfgang Wernsdorfer
,
Dan Liu
,
Liviu Chibotaru
et al.
Journal articles
hal-01978462v1
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Modern quantum chemistry with [Open]Molcas
Francesco Aquilante
,
Jochen Autschbach
,
Alberto Baiardi
,
Stefano Battaglia
,
Veniamin Borin
et al.
Journal articles
hal-02814121v1
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Multitechnique investigation of Dy 3 – implications for coupled lanthanide clusters
Maren Gysler
,
Fadi El Hallak
,
Liviu Ungur
,
Raphael Marx
,
Michael Hakl
et al.
Chemical Science, 2016, 7 (7), pp.4347-4354
Journal articles
hal-01992703v1
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