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5 results in Authors: Christopher Ehlert

Theoretical and Computational Chemistry

A Generally Applicable Atomic-Charge Dependent London Dispersion Correction Scheme

Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen, Hagen Neugebauer, Sebastian Spicher, Christoph Bannwarth, Stefan Grimme

Version 2 posted 25 January 2019

3,347

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3

Citations

Theoretical and Computational Chemistry

GFN2-xTB - an Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions

Christoph Bannwarth, Sebastian Ehlert, Stefan Grimme

Version 2 posted 19 November 2018

3,161

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1

Citations

Metal-Free Molecular Catalysts for Oxygen Reduction Reaction: Electron Affinity as Activity Descriptor

Christopher Ehlert, Anna Piras, Juliette Schleicher, Ganna Gryn'ova

Version 1 posted 14 November 2022

266

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Analytical Chemistry

Deciphering Isotopic Fine Structures of Silylated Compounds in Gas Chromatography - Vacuum Photoionization Orbitrap Mass Spectrometry of Bio-Oils

Silvia Juliana Vesga Martínez, Christopher Paul Rüger, Paul Kösling, Julian Schade, Sven Ehlert, Yury O. Tsybin, Ralf Zimmermann

Version 1 posted 20 September 2024

56

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Theoretical and Computational Chemistry

CO2 on Graphene: Benchmarking Computational Approaches to Non-Covalent Interactions

Christopher Ehlert, Anna Piras, Ganna Gryn'ova

Version 2 posted 06 March 2023

635

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