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Inorganic Chemistry

Working Paper

Ab Initio Non-Covalent Crystal Field Theory for Lanthanide Complexes: A Multiconfigurational Non-Orthogonal Group Functions Approach

Alessandro Soncini, MATTEO PICCARDO

Version 1 posted 18 February 2020

458

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Theoretical and Computational Chemistry

Working Paper

Effective Hamiltonians Derived from Equation-of-Motion Coupled-Cluster Wave-Functions: Theory and Application to the Hubbard and Heisenberg Hamiltonians

Pavel Pokhilko, Anna I. Krylov

Version 1 posted 23 December 2019

522

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Inorganic Chemistry

Working Paper

Magnetic Anisotropy in Divalent Lanthanide Complexes

Liviu Ungur, Liviu Chibotaru, Weibing Zhang, Almas Muhtadi

Version 1 posted 03 May 2019

814

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1

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Inorganic Chemistry

Working Paper

Magnetic Archimedean Tessellations in Metal-Organic Frameworks

Hua Chen, Laura Voigt, Mariusz Kubus, Dmytro Mihrin, Susanne Mossin, René Wugt Larsen, Søren Kegnæs, Stergios Piligkos, Kasper Pedersen

Version 1 posted 05 May 2021

299

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Physical Chemistry

Working Paper

Vibrational Coherences in Manganese Single-molecule Magnets after Ultrafast Photoexcitation

Florian Liedy, Robbie McNab, Julien Eng, Ross Inglis, Thomas Penfold, Euan K. Brechin, Johan Olof Johansson

Version 1 posted 19 December 2018

690

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Inorganic Chemistry

Working Paper

Precursor molecules for cobalt(II) single molecule magnets – Synthesis and magnetic properties

David Hunger, Simon Suhr, Valentin Bayer, Uta Albold, Biprajit Sarkar, Joris van Slageren

Version 1 posted 03 November 2023

202

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1

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Inorganic Chemistry

Working Paper

Electronic structure of mononuclear and radical-bridged dinuclear cobalt(II) single-molecule magnets

David Hunger, Julia Netz, Simon Suhr, Komalavalli Thirunavukkuarasu, Uta Albold, Julia Beerhues, Ingo Hartenbach, Biprajit Sarkar, Andreas Köhn, Joris van Slageren

Version 1 posted 01 February 2024

189

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Inorganic Chemistry

Working Paper

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

Xia-Li Ding, Yuan-Qi Zhai, Tian Han, Wei-Peng Chen, You-Song Ding, Yan-Zhen Zheng

Version 1 posted 24 July 2020

716

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Inorganic Chemistry

Working Paper

Rotaxane-Like Dysprosium(III) Triiodide Single-Molecule Magnets with Tunable Air Stability and Record Energy Barrier

Yan-Zhen Zheng, Wen-Jie Xu, Qian-Cheng Luo, Zi-Han Li, Yuan-Qi Zhai

Version 1 posted 08 September 2023

310

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9 results in single-molecule magnets in Keywords: single-molecule magnets

Ab Initio Non-Covalent Crystal Field Theory for Lanthanide Complexes: A Multiconfigurational Non-Orthogonal Group Functions Approach

Effective Hamiltonians Derived from Equation-of-Motion Coupled-Cluster Wave-Functions: Theory and Application to the Hubbard and Heisenberg Hamiltonians

Magnetic Anisotropy in Divalent Lanthanide Complexes

Magnetic Archimedean Tessellations in Metal-Organic Frameworks

Vibrational Coherences in Manganese Single-molecule Magnets after Ultrafast Photoexcitation

Precursor molecules for cobalt(II) single molecule magnets – Synthesis and magnetic properties

Electronic structure of mononuclear and radical-bridged dinuclear cobalt(II) single-molecule magnets

D4h Local Symmetric dysprosium(III) Single-Molecule Magnet with Energy Barrier Exceeding 2000 K

Rotaxane-Like Dysprosium(III) Triiodide Single-Molecule Magnets with Tunable Air Stability and Record Energy Barrier

9 results in Keywords: single-molecule magnets