Publications by authors named "Dirk Andrae"

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Reactivity of Sodium Pentaphospholide Na[cyclo-P ] towards C≡E (E=C, N, P) Triple Bonds.
Andrey Petrov, Lawrence Conrad, Nathan T Coles, Manuela Weber, Dirk Andrae

Chemistry· December 2022

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Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides.
Lin Li, Ahmed K Sakr, Tobias Schlöder, Siri Klein, Helmut Beckers, Dirk Andrae

Angew Chem Int Ed Engl· March 2021

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Universal Algorithm for Simulating and Evaluating Cyclic Voltammetry at Macroporous Electrodes by Considering Random Arrays of Microelectrodes.
Tim Tichter, Jonathan Schneider, Dirk Andrae, Marcus Gebhard, Christina Roth

Chemphyschem· March 2020

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Theory of cyclic voltammetry in random arrays of cylindrical microelectrodes applied to carbon felt electrodes for vanadium redox flow batteries.
Tim Tichter, Dirk Andrae, Jacob Mayer, Jonathan Schneider, Marcus Gebhard

Phys Chem Chem Phys· May 2019

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Oxygen radical character in group 11 oxygen fluorides.
Lin Li, Tony Stüker, Stefanie Kieninger, Dirk Andrae, Tobias Schlöder

Nat Commun· March 2018

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A computational study of samarium diiodide-induced cyclizations of N-oxoalkyl-substituted methyl indole-3-carboxylates-A rationale of the diastereoselectivity.
Andreas J Achazi, Dirk Andrae, Hans-Ulrich Reissig, Beate Paulus

J Comput Chem· December 2017

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Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory.
Stefano Battaglia, Noelia Faginas-Lago, Dirk Andrae, Stefano Evangelisti, Thierry Leininger

J Phys Chem A· May 2017

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Low-Lying Electronic States of CuAu.
Davood Alizadeh Sanati, Dirk Andrae

J Phys Chem A· July 2016

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Electronic quantum fluxes during pericyclic reactions exemplified for the Cope rearrangement of semibullvalene.
Dirk Andrae, Ingo Barth, Timm Bredtmann, Hans-Christian Hege, Jörn Manz

J Phys Chem B· May 2011

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Low-temperature formation of cubic β-PbF2: precursor-based synthesis and first-principles phase stability study.
Christoph Erk, Lukas Hammerschmidt, Dirk Andrae, Beate Paulus, Sabine Schlecht

Phys Chem Chem Phys· April 2011

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Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface.
Nicola Gaston, Dirk Andrae, Beate Paulus, Ulrich Wedig, Martin Jansen

Phys Chem Chem Phys· January 2010

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Molecular dynamics simulations of dendrimer-encapsulated alpha-Keggin ions in trichloromethane solution.
Ralf Brodbeck, Thorsten Tönsing, Dirk Andrae, Dirk Volkmer

J Phys Chem B· April 2008

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