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Amke Nimmrich

3 results in Authors: Amke Nimmrich

Physical Chemistry

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multi-edge Resonant Inelastic X-ray Scattering

Amke Nimmrich, Niranjan Govind, Munira Khalil

Version 1 posted 16 September 2024

198

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Physical Chemistry

Finite-size Effects on the Calculation of X-ray Scattering from Molecular Dynamics Simulations

Asmus Ougaard Dohn, Verena Isabell Markmann, Amke Nimmrich, Kristoffer Haldrup, Klaus Braagaard Møller, Martin Meedom Nielsen

Version 2 posted 22 June 2023

509

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Theoretical and Computational Chemistry

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

Chenghao Zhang, Amke Nimmrich, Britta A. Johnson, Gregory K. Schenter, Munira Khalil, Niranjan Govind

Version 1 posted 15 April 2025

120

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