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Theoretical and Computational Chemistry

Working Paper

Exchange Spin Coupling from Gaussian Process Regression

Marc Philipp Bahlke, Natnael Mogos, Jonny Proppe, Carmen Herrmann

Version 3 posted 08 July 2020

1,151

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Organic Chemistry

Working Paper

Applicability of Baird’s Rule for In-Plane Aromaticity

Yui Masumoto, Naoyuki Toriumi, Taisei Osawa, Atsuya Muranaka, Eiichi Kayahara, Shigeru Yamago, Mamoru Fujitsuka, Tetsuro Majima, Masanobu Uchiyama

Version 1 posted 02 June 2021

523

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Inorganic Chemistry

Working Paper

Lanthanide Complexes with a Tripodal Nitroxyl Radical Showing Strong Magnetic Coupling

Mauro Perfetti, Andrea Caneschi, Taisiya S. Sukhikh, Kira E. Vostrikova

Version 2 posted 17 August 2020

672

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Inorganic Chemistry

Working Paper

Towards Frustration in Eu(II) Archimedean Tessellations

Hua Chen, Anna S. Manvell, Mariusz Kubus, Maja A. Dunstan, Giulia Lorusso, David Gracia, Mike S. B. Jørgensen, Søren Kegnæs, Fabrice Wilhelm, Andrei Rogalev, Marco Evangelisti, Kasper S. Pedersen

Version 1 posted 15 November 2022

272

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Theoretical and Computational Chemistry

Working Paper

Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of its Magnetic Behavior

Maristella Alessio, Saikiran Kotaru, Goran Giudetti, Anna I. Krylov

Version 1 posted 22 August 2022

559

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Materials Chemistry

Working Paper

Structure and magnetic properties of Ni4V3O10, an antiferromagnet with three types of vanadium-oxygen polyhedra

Zachary Riedel, Fatemeh Amerikheirabadi, Kejian Qu, Jeffrey Huang, Mebatsion Gebre, Ankita Bhutani, Richard Haasch, Pinshane Huang, André Schleife, Daniel Shoemaker

Version 1 posted 04 March 2022

298

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Inorganic Chemistry

Working Paper

Controlling Through-Space and Through-Bond Exchange Pathways in Bis-Cobaltocenes for Molecular Spintronics

Sarah Puhl, Torben Steenbock, Carmen Herrmann, Jürgen Heck

Version 1 posted 24 September 2019

508

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Theoretical and Computational Chemistry

Working Paper

Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties: Theory and Applications to Single-Molecule Magnets

Maristella Alessio, Anna Krylov

Version 1 posted 05 May 2021

467

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Inorganic Chemistry

Working Paper

Air-Stable Hexagonal Bipyramidal Dysprosium(III) Single-Ion Magnets with Nearly Perfect D6h Local Symmetry

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

Version 1 posted 14 August 2019

720

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1

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Inorganic Chemistry

Working Paper

Nickel(II) Salicylaldiminates: Re-Visiting a Classic

Supaporn Saechio, Rodolphe CLERAC, Keith Murray, Wasinee Phonsri, Eliseo Ruiz, Phimphaka Harding, David Harding

Version 1 posted 28 April 2021

320

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19 results in Magnetic Properties in Keywords: Magnetic Properties

Exchange Spin Coupling from Gaussian Process Regression

Applicability of Baird’s Rule for In-Plane Aromaticity

Lanthanide Complexes with a Tripodal Nitroxyl Radical Showing Strong Magnetic Coupling

Towards Frustration in Eu(II) Archimedean Tessellations

Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of its Magnetic Behavior

Structure and magnetic properties of Ni4V3O10, an antiferromagnet with three types of vanadium-oxygen polyhedra

Controlling Through-Space and Through-Bond Exchange Pathways in Bis-Cobaltocenes for Molecular Spintronics

Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties: Theory and Applications to Single-Molecule Magnets

Air-Stable Hexagonal Bipyramidal Dysprosium(III) Single-Ion Magnets with Nearly Perfect D6h Local Symmetry

Nickel(II) Salicylaldiminates: Re-Visiting a Classic

19 results in Keywords: Magnetic Properties