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Open-shell species

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3 results in Keywords: Open-shell species

Theoretical and Computational Chemistry

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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Iodine–Iodine Cooperation Enables Metal-Free C–N Bond-Forming Electrocatalysis via Isolable Iodanyl Radicals

Brandon Frey, Matthew Figgins, Gerard Van Trieste, Raanan Carmieli, David Powers

Version 1 posted 27 May 2022

557

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Theoretical and Computational Chemistry

Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets

Maristella Alessio, Garrette Pauley Paran, Cansu Utku, Andreas Grueneis, Thomas-C. Jagau

Version 1 posted 15 March 2024

310

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