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5 results in Authors: Jacob Toney

A computational mechanistic study of CH hydroxylation with mononuclear copper-oxygen complexes

Zhenzhuo Lan, Jacob Toney, Shaama Mallikarjun Sharada

Version 1 posted 27 June 2022

253

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Visualizing 3D Morphologies and Spatial Heterogeneities of Li after Fast-Charging via In-situ Neutron Tomography

Maha Yusuf, Anders Kaestner, Markus Wied, Jacob M. LaManna, Nghia T. Vo, Alison R. Dunlop, Andrew N. Jansen, Bryant J. Polzin, Stephen E. Trask, Markus Strobl, Vanessa Wood, Michael F. Toney, Johanna Nelson Weker

Version 1 posted 22 March 2024

362

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Simultaneous neutron and X-ray tomography for ex-situ 3D visualization of graphite anode degradation in extremely fast-charged lithium-ion batteries.

Maha Yusuf, Jacob M. LaManna, Partha P. Paul, David N. Agyeman-Budu, Chuntian Cao, Alison R. Dunlop, Andrew N. Jansen, Bryant J. Polzin, Stephen E. Trask, Tanvir R. Tanim, Eric J. Dufek, Vivek Thampy, Hans-Georg Steinrück, Michael F. Toney, Johanna Nelson Weker

Version 1 posted 17 June 2022

254

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Theoretical and Computational Chemistry

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Ilia Kevlishvili, Roland St. Michel, Aaron Garrison, Jacob Toney, Husain Adamji, Haojun Jia, Heather Kulik

Version 1 posted 06 May 2024

196

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Theoretical and Computational Chemistry

Graph neural networks for predicting metal–ligand coordination of transition metal complexes

Jacob Toney, Roland St. Michel, Aaron Garrison, Ilia Kevlishvili, Heather Kulik

Version 1 posted 04 October 2024

12

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