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7 results in Keywords: Ligand field theory

Inorganic Chemistry

Spin–Phonon Coupling and Dynamic Zero-Field Splitting Contributions to Spin Conversion Processes in Iron(II) Complexes

Nicholas Higdon, Alexandra Barth, Patryk Kozlowski, Ryan Hadt

Version 1 posted 03 March 2020

676

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Physical Chemistry

Ligand field states control photocatalytic efficiency of transition metal oxides

Michael Sachs, Liam Harnett-Caulfield, Ernest Pastor, Bernadette Davies, Daniel J. C. Sowood, Benjamin Moss, Andreas Kafizas, Jenny Nelson, Aron Walsh, James R. Durrant

Version 1 posted 26 April 2024

739

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Theoretical and Computational Chemistry

Theory of Field-Dependent NMR Shifts in Paramagnetic Molecules

Lucas Lang, Letizia Fiorucci, Giacomo Parigi, Claudio Luchinat, Enrico Ravera

Version 2 posted 17 March 2025

110

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Inorganic Chemistry

The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling

Ruben Mirzoyan, Ryan Hadt

Version 1 posted 21 October 2019

756

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Theoretical and Computational Chemistry

Revealing the Nature of Electron Correlation in Transition Metal Complexes with Symmetry-Breaking and Chemical Intuition

James Shee, Matthias Loipersberger, Diptarka Hait, Joonho Lee, Martin Head-Gordon

Version 1 posted 17 February 2021

484

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Inorganic Chemistry

The Impact of Ligand Field Symmetry on Molecular Qubit Coherence

Nathanael Kazmierczak, Ruben Mirzoyan, Ryan Hadt

Version 1 posted 05 May 2021

424

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Inorganic Chemistry

Boronated Cyanometallates

Brendon McNicholas, Cherish Nie, Anex Jose, Paul Oyala, Michael Takase, Larry Henling, Alexandra Barth, Alessio Amaolo, Ryan Hadt, Edward Solomon, Jay Winkler, Harry Gray, Emmanuelle Despagnet-Ayoub

Version 3 posted 30 August 2022

505

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