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Physical Chemistry

Working Paper

Quantifying Hexafluoroisopropanol’s H-Bond Donor Ability: Infrared Photodissociation Spectroscopy of Halide Anion HFIP Complexes

Milena Barp, Florian Kreuter, Qian-Rui Huang, Jiaye Jin, Franka. E. Ninov, Jer-Lai Kuo, Ralf Tonner-Zech, Knut R Asmis

Version 1 posted 13 December 2024

71

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Theoretical and Computational Chemistry

Working Paper

Complementary Base Lowers the Barrier in SuFEx Click Chemistry for Primary Amine Nucleophiles

Jan-Niclas Luy, Ralf Tonner

Version 1 posted 05 October 2020

462

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Theoretical and Computational Chemistry

Working Paper

Organic Functionalization at the Si(001) Dimer Vacancy Defect – Structure, Bonding and Reactivity

Jan-Niclas Luy, Ralf Tonner

Version 2 posted 03 March 2021

532

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Theoretical and Computational Chemistry

Working Paper

Efficient Hierarchical Models for Reactivity of Organic Layers on Semiconductor Surfaces

Jan-Niclas Luy, Mahlet Molla, Lisa Pecher, Ralf Tonner

Version 2 posted 12 February 2021

427

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Inorganic Chemistry

Working Paper

Towards Self-Doping Multimetal Porphyrin Systems

Richard Goddard, Ralf Tonner, Manfred T. Reetz

Version 1 posted 27 April 2020

420

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Theoretical and Computational Chemistry

Working Paper

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

128

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Theoretical and Computational Chemistry

Working Paper

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

226

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Organic Chemistry

Working Paper

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

252

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Theoretical and Computational Chemistry

Working Paper

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

199

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Theoretical and Computational Chemistry

Working Paper

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

Florian Kreuter, Ralf Tonner-Zech

Version 1 posted 20 November 2024

160

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Refine Search

11 results in Ralf Tonner in Authors: Ralf Tonner

Quantifying Hexafluoroisopropanol’s H-Bond Donor Ability: Infrared Photodissociation Spectroscopy of Halide Anion HFIP Complexes

Complementary Base Lowers the Barrier in SuFEx Click Chemistry for Primary Amine Nucleophiles

Organic Functionalization at the Si(001) Dimer Vacancy Defect – Structure, Bonding and Reactivity

Efficient Hierarchical Models for Reactivity of Organic Layers on Semiconductor Surfaces

Towards Self-Doping Multimetal Porphyrin Systems

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

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

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

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

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

11 results in Authors: Ralf Tonner