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Andrew Horton

4 results in Authors: Andrew Horton

CH4-to-CH3OH on Mononuclear Cu(II) Sites Supported on Al2O3: Structure of Active Sites from Electron Paramagnetic Resonance

Jordan Meyet, Anton Ashuiev, Gina Noh, Mark Newton, Daniel Klose, Keith Searles, Alexander van Bavel, Andrew Horton, Gunnar Jeschke, Jeroen A. van Bokhoven, Christophe Copéret

Version 2 posted 17 February 2021

742

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Theoretical and Computational Chemistry

High-Throughput Predictions of Metal–Organic Framework Electronic Properties: Theoretical Challenges, Graph Neural Networks, and Data Exploration

Andrew S. Rosen, Victor Fung, Patrick Huck, Cody T. O'Donnell, Matthew K. Horton, Donald G. Truhlar, Kristin A. Persson, Justin M. Notestein, Randall Q. Snurr

Version 1 posted 13 December 2021

733

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2

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Materials Science

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Ryan Kingsbury, Andrew S. Rosen, Ayush S. Gupta, Jason Munro, Shyue Ping Ong, Anubhav Jain, Shyam Dwaraknath, Matthew K. Horton, Kristin A. Persson

Version 1 posted 04 March 2022

457

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1

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Role and Dynamics of Transition Metal Carbides in Methane Coupling

Seraphine B.X.Y. Zhang, Quentin Pessemesse, Lukas Lätsch, Konstantin M. Engel, Wendelin J. Stark, Alexander P. van Bavel, Andrew D. Horton, Pierre-Adrien Payard, Christophe Copéret

Version 1 posted 13 September 2022

439

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