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Maristella Alessio

5 results in Authors: Maristella Alessio

Physical Chemistry

Influence of transition metal electron configuration on the structure of metal-EDTA complexes

Madison M. Foreman, Maristella Alessio, Anna I. Krylov, J. Mathias WEBER

Version 1 posted 14 November 2022

308

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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

284

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Theoretical and Computational Chemistry

Magnetic Exchange Interactions in Binuclear and Tetranuclear Iron (III) Complexes Described by Spin-Flip DFT and Heisenberg Effective Hamiltonians

Saikiran Kotaru, Sven Kähler, Maristella Alessio, Anna I. Krylov

Version 3 posted 15 April 2022

431

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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

308

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Theoretical and Computational Chemistry

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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