Search

Categories

Catalysis

(1)

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Keywords

Open-shell species

Authors

3 results in Keywords: Open-shell species

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

350

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

608

Downloads

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

604

Downloads