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Theoretical and Computational Chemistry

Working Paper

autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis

Dennis Svatunek, Kendall N. Houk

Version 2 posted 21 May 2019

1,504

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Organic Chemistry

Working Paper

Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines

Aneta Turlik, Kendall N. Houk, Dennis Svatunek

Version 1 posted 02 July 2021

382

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Organic Chemistry

Working Paper

Lipophilicity and Click Reactivity Determine the Performance of Bioorthogonal Tetrazine Tools in Pretargeted in Vivo Chemistry

Johanna Stéen, Jesper Tranekjær Jørgensen, Denk Christoph, Umberto Maria Battisti, Kamilla Nørregaard, Patricia Edem, Klas Bratteby, Vladimir Shalgunov, Wilkovitsch Martin, Dennis Svatunek, Christian Bernard Matthijs Poulie, Lars Hvass, Marina Simon, Wanek Thomas, Raffaella Rossin, Marc Robillard, Jesper Langgaard Kristensen, Hannes Mikula, Andreas Kjaer, Matthias Herth

Version 1 posted 24 December 2020

421

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1

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Biological and Medicinal Chemistry

Working Paper

Direct Aromatic 18F-Labeling of Highly Reactive Tetrazines for Pretargeted Bioorthogonal PET Imaging

Rocio Garcia-Vazquez, Umberto Maria Battisti, Jesper Tranekjær Jørgensen, Vladimir Shalgunov, Lars Hvass, Daniel L. Stares, Ida Nymann Petersen, François Crestey, Andreas Löffler, Dennis Svatunek, Jesper Langgaard Kristensen, Hannes Mikula, Andreas Kjaer, Matthias Herth

Version 1 posted 22 February 2021

555

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Organic Chemistry

Working Paper

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

Umberto Battisti, Rocío García-Vázquez, Dennis Svatunek, Barbara Herrmann, Andreas Löffler, Hannes Mikula, Matthias Herth

Version 1 posted 26 October 2021

283

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Theoretical and Computational Chemistry

Working Paper

Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

Israel Fernández, F. Matthias Bickelhaupt, Dennis Svatunek

Version 1 posted 16 August 2023

175

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Theoretical and Computational Chemistry

Working Paper

Is Mn(I) more promising than Fe(II) – A comparison of Mn vs. Fe complexes for olefin metathesis

Jan Pecak, Radu A. Talmazan, Dennis Svatunek, Karl Kirchner, Maren Podewitz

Version 2 posted 12 January 2024

534

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Organic Chemistry

Working Paper

Uncovering the key role of distortion in tetrazine ligations guides the design of bioorthogonal tools that defy the reactivity/stability tradeoff

Dennis Svatunek, Martin Wilkovitsch, Lea Hartmann, Kendall Houk, Hannes Mikula

Version 2 posted 27 January 2022

1,274

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8 results in Dennis Svatunek in Authors: Dennis Svatunek

autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis

Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines

Lipophilicity and Click Reactivity Determine the Performance of Bioorthogonal Tetrazine Tools in Pretargeted in Vivo Chemistry

Direct Aromatic 18F-Labeling of Highly Reactive Tetrazines for Pretargeted Bioorthogonal PET Imaging

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis

Is Mn(I) more promising than Fe(II) – A comparison of Mn vs. Fe complexes for olefin metathesis

Uncovering the key role of distortion in tetrazine ligations guides the design of bioorthogonal tools that defy the reactivity/stability tradeoff

8 results in Authors: Dennis Svatunek