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4 results in Authors: Marcel Swart

Theoretical and Computational Chemistry

Density Functional Approximations for Consistent Spin and Oxidation States of Oxoiron Complexes

Filip Vlahovic, Maja Gruden, Stepan Stepanović, Marcel Swart

Version 1 posted 22 July 2019

888

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Analytical Chemistry

Identifying Molecules as Biosignatures with Assembly Theory and Mass Spectrometry

stuart Marshall, Cole Mathis, Emma Carrick, Graham Keenan, Geoffrey Cooper, Heather Graham, Jessica Bame, Matthew Craven, Nicola Bell, Piotr S. Gromski, Marcel Swart, Douglas G. Moore, Sara Walker, Leroy Cronin

Version 1 posted 16 November 2020

1,225

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Spin-Resolved Charge Displacement Analysis as Intuitive Tool for the Evaluation of cPCET and HAT Scenarios

Lorenzo D'Amore, Leonardo Belpassi, Johannes E. M. N. Klein, Marcel Swart

Version 2 posted 01 September 2020

555

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Theoretical and Computational Chemistry

A benchmark study of dioxygen complexes based on coupled cluster and density functional theory

Marcel Swart, Marc Reimann

Version 3 posted 17 July 2024

330

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