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5 results in Authors: Ralf Tonner-Zech

Organic Chemistry

Hexafluorophosphate-Triggered Hydrogen Isotope Exchange (HIE) in Fluorinated Environments: A Platform for the Deuteration of Aromatic Compounds via Strong Bond Activation

Yang Ni, Jonathan Lebelt, Milena Barb, Florian Kreuter, Hannah Buttkus, Jiaye Jin, Martin Kretzschmar, Ralf Tonner-Zech, Knut Asmis, Tanja Gulder

Version 1 posted 16 September 2024

209

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Theoretical and Computational Chemistry

An atomistic picture on build-up and degradation reactions in area-selective atomic layer deposition with a small molecule inhibitor

Paul Philipp Wellmann, Fabian Pieck, Ralf Tonner-Zech

Version 1 posted 03 May 2024

177

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Theoretical and Computational Chemistry

Accurately computed dimerization fraction of ALD precursors and their impact on surface reactivity in area-selective atomic layer deposition

Patrick Maue, Émilie Chantraine, Fabian Pieck, Ralf Tonner-Zech

Version 1 posted 22 August 2024

189

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Theoretical and Computational Chemistry

Unraveling the impact of nuclear quantum effects on proton affinity using nuclear electronic orbital-density functional theory: A Comprehensive Benchmark Study

Raza Ullah Khan, Ralf Tonner-Zech

Version 1 posted 12 June 2024

100

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Theoretical and Computational Chemistry

Energy Decomposition Analysis for excited states: An Extension based on TDDFT

Florian Kreuter, Ralf Tonner-Zech

Version 1 posted 20 November 2024

0

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