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6 results in Authors: Neil A. Burton

Theoretical and Computational Chemistry

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

348

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Analytical Chemistry

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

285

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Inorganic Chemistry

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

184

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Analytical Chemistry

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

333

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Analytical Chemistry

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

264

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1

Citations

Theoretical and Computational Chemistry

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

328

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