Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(1)

Last 3 years

(4)

Last 12 months

(1)

Keywords

Authors

Maristella Alessio

5 results in Authors: Maristella Alessio

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

296

Downloads

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

451

Downloads

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

424

Downloads

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

221

Downloads

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

292

Downloads