Wilke Dononelli - Dissemin

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All papers authored by Wilke Dononelli

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2024 Henry Wang

ORCID

ORCID

, Wilke Dononelli

ORCID

, Tim Neudecker

JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Felix Zeller

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, Chieh‐Min Hsieh

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, Wilke Dononelli

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, Tim Neudecker

Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime

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2020 Wilke Dononelli

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, Thorsten Klüner

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Analyzing the local basis set superposition error for CO adsorbed on rutile(110)

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Yigang Yan

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, Wilke Dononelli

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, Mathias Jørgensen

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, Jakob B. Grinderslev

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, Young Whan Cho, Radovan Černý

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, Bjørk Hammer

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, Torben R. Jensen

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The mechanism of Mg2+ conduction in ammine magnesium borohydride promoted by a neutral molecule

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2019 Wilke Dononelli

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, Gabriele Tomaschun, Thorsten Klüner

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, Lyudmila V. Moskaleva

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Understanding Oxygen Activation on Nanoporous Gold

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2018 Christoph D. Feldt, Raphaell Moreira

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, Eric Meyer, Peter Clawin, Wiebke Riedel

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, Lyudmila Moskaleva

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, Wilke Dononelli

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, Thorsten Klüner

ORCID

CO Adsorption on Au(332): Combined Infrared Spectroscopy and Density Functional Theory Study

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Wilke Dononelli

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, Lyudmila V. Moskaleva

ORCID

, Thorsten Klüner

ORCID

CO Oxidation over Unsupported Group 11 Metal Catalysts: New Mechanistic Insight from First-Principles

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Gabriele Tomaschun, Wilke Dononelli

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, Yong Li, Marcus Bäumer, Thorsten Klüner, Lyudmila V. Moskaleva

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Methanol oxidation on the Au(3 1 0) surface: A theoretical study

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Francesca Baletto, Maurits Boeije, Alexis Bordet, Katharina Brinkert, Richard Catlow, Josh Davies, Wilke Dononelli

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, Hans-Joachim Freund

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, Cynthia Friend, Bruce Gates, Alexander Genest, Shaoliang Guan, Christopher Hardacre, Justin Hargreaves, Haoliang Huang and 21 other authors

Application of new nanoparticle structures as catalysts: general discussion

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Wilke Dononelli

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, Thorsten Klüner

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CO adsorption and oxygen activation on group 11 nanoparticles – a combined DFT and high level CCSD(T) study about size effects and activation processes

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2017 Yong Li, Wilke Dononelli

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, Raphaell Moreira, Thomas Risse

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, Marcus Bäumer, Thorsten Klüner

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, Lyudmila V. Moskaleva

ORCID

Oxygen-Driven Surface Evolution of Nanoporous Gold: Insights from Ab Initio Molecular Dynamics and Auger Electron Spectroscopy

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L. Moskaleva, W. Dononelli

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, T. Klüner

Aerobic Alcohol Oxidation on Nanoporous Gold: Toward a Mechanistic Understanding of the Reactivity

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2016 Charles Campbell, Michael Bowker, Michail Stamatakis, Graham Hutchings, Philip Davies, James Earley, Mark Howard, Bruce Garrett, Femi Oloye, Elad Gross, Andrzej Kotarba, Miron V. Landau, Itai Panas, James Anderson, Bert Weckhuysen and 21 other authors

Bridging model and real catalysts : general discussion

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2012 Ulf Betke, Wilke Dononelli

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, Thorsten Kluener, Mathias S. Wickleder

ChemInform Abstract: ReO2Cl(S2O7), a Molecular Disulfate.

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2011 Ulf Betke, Wilke Dononelli

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, Thorsten Klüner, Mathias S. Wickleder

ReO2Cl(S2O7), ein molekulares Disulfat

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Ulf Betke, Wilke Dononelli

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, Thorsten Klüner, Mathias S. Wickleder

ReO2Cl(S2O7), a molecular disulfate.

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