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A Ring of Rotaxanes: Studies of a Large Paramagnetic Assembly in Solution

Richard Winpenny, Tom Bennett, Selina Nawaz, Deepak Asthana, Selena Lockyer, George Whitehead, Inigo Vitorica-Yrezabal, Grigore Timco, Neil Burton, Eric McInnes

Version 1 posted 15 May 2023

217

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Analytical Chemistry

Working Paper

Formation and Characterisation of Polymetallic Rings in vacuo

Niklas Geue, Grigore Timco, George Whitehead, Eric McInnes, Neil Burton, Richard Winpenny, Perdita Barran

Version 2 posted 09 June 2023

322

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Theoretical and Computational Chemistry

Working Paper

Machine Learning of Atomic Forces from Quantum Mechanics: a Model Based on Pairwise Interatomic Forces

Ismaeel Ramzan, Linghan Kong, Richard Bryce, Neil Burton

Version 1 posted 20 April 2021

394

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Analytical Chemistry

Working Paper

Disassembly Mechanisms and Energetics of Polymetallic Rings and Rotaxanes with Ion Mobility Mass Spectrometry

Niklas Geue, Tom S. Bennett, Alexandra A. Arama, Lennart A.I. Ramakers, George F.S. Whitehead, Grigore A. Timco, Peter B. Armentrout, Eric J.L. McInnes, Neil A. Burton, Richard E.P. Winpenny, Perdita E. Barran

Version 1 posted 02 June 2022

358

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Analytical Chemistry

Working Paper

Adduct Ions as Diagnostic Probes of Metallosupramolecular Complexes using Ion Mobility Mass Spectrometry

Niklas Geue, Tom Bennett, Lennart Ramakers, Grigore Timco, Eric McInnes, Neil Burton, Peter Armentrout, Richard Winpenny, Perdita Barran

Version 1 posted 17 October 2022

294

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Stable and Accurate Atomistic Simulations of Flexible Molecules using Conformationally Generalisable Machine Learned Potentials

Christopher D Williams, Jas Kalayan, Neil A Burton, Richard A Bryce

Version 1 posted 16 February 2024

483

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Physical Chemistry

Working Paper

Self-Assembly, Rearrangement and Disassembly of {Cr6} Horseshoe Oligomers

Niklas Geue, Dhaneesh Gopalakrishnan, Jimin Ham, Shengpeng Huang, Grigore Timco, Neil Burton, Richard Winpenny, Kelvin Anggara, Perdita Barran

Version 1 posted 11 November 2024

116

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Analytical Chemistry

Working Paper

Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases

Niklas Geue, Emily Hicks, Selena J. Lockyer, Selina Nawaz, Olivia Churchill, George F. S. Whitehead, Grigore A. Timco, Neil A. Burton, Perdita E. Barran, Richard E. P. Winpenny

Version 1 posted 21 November 2024

0

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8 results in Neil A Burton in Authors: Neil A Burton

A Ring of Rotaxanes: Studies of a Large Paramagnetic Assembly in Solution

Formation and Characterisation of Polymetallic Rings in vacuo

Machine Learning of Atomic Forces from Quantum Mechanics: a Model Based on Pairwise Interatomic Forces

Disassembly Mechanisms and Energetics of Polymetallic Rings and Rotaxanes with Ion Mobility Mass Spectrometry

Adduct Ions as Diagnostic Probes of Metallosupramolecular Complexes using Ion Mobility Mass Spectrometry

Stable and Accurate Atomistic Simulations of Flexible Molecules using Conformationally Generalisable Machine Learned Potentials

Self-Assembly, Rearrangement and Disassembly of {Cr6} Horseshoe Oligomers

Structural Characterisation and Dynamics of a Paramagnetic {Cr12Ni3} Seahorse in Non-Crystalline Phases

8 results in Authors: Neil A Burton