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authFullName_s : Liviu Chibotaru
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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 of Computational Chemistry, 2016, 37 (5), pp.506 - 541. ⟨10.1002/jcc.24221⟩
Journal articles hal-01409053v1

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.
Angewandte Chemie International Edition, 2015, 54 (7), pp.2236 - 2240. ⟨10.1002/anie.201410523⟩
Journal articles istex hal-01899652v1

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 of the American Chemical Society, 2016, 138 (16), pp.5441-5450. ⟨10.1021/jacs.6b02638⟩
Journal articles hal-01971368v1

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.
Advanced Optical Materials, 2021, pp.2101495. ⟨10.1002/adom.202101495⟩
Journal articles hal-03472542v1

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván , Morgane Vacher , Ali Alavi , Celestino Angeli , Francesco Aquilante et al.
Journal of Chemical Theory and Computation, 2019, 15 (11), pp.5925-5964. ⟨10.1021/acs.jctc.9b00532⟩
Journal articles hal-02532225v1

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.
Inorganic Chemistry, 2019, 58 (1), pp.756-768. ⟨10.1021/acs.inorgchem.8b02921⟩
Journal articles hal-01991167v1

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 of Physical Chemistry C, 2018, 122 (20), pp.11128-11135. ⟨10.1021/acs.jpcc.8b01582⟩
Journal articles hal-01978044v1

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.
Chemical Science, 2012, 3 (4), pp.1169-1176. ⟨10.1039/c2sc00728b⟩
Journal articles hal-01882250v1

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 of Materials Chemistry C, 2021, 9 (33), pp.10912-10926. ⟨10.1039/d1tc00894c⟩
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.
Chemistry - A European Journal, 2019, 25 (2), pp.474-478. ⟨10.1002/chem.201804429⟩
Journal articles hal-01980996v1

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.
Chemical Science, 2019, 10 (7), pp.2101-2110. ⟨10.1039/C8SC03170C⟩
Journal articles hal-02324547v1

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.
Angewandte Chemie International Edition, 2017, 56 (18), pp.4996-5000. ⟨10.1002/anie.201701480⟩
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 of Chemical Physics, 2020, 152 (21), pp.214117. ⟨10.1063/5.0004835⟩
Journal articles hal-02814121v1

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