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Catalysis

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Materials Science

(2)

Theoretical and Computational Chemistry

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Working Paper

(4)

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Last 3 years

(4)

Keywords

catalyst discovery

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4 results in Keywords: catalyst discovery

Theoretical and Computational Chemistry

Computational evolution of new catalysts for the Morita–Baylis–Hillman reaction

Julius Seumer, Jonathan Kirschner Solberg Hansen, Mogens Brøndsted Nielsen, Jan H. Jensen

Version 3 posted 16 December 2022

845

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De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates

Maria Harris Rasmussen, Julius Seumer, Jan Halborg Jensen

Version 1 posted 03 July 2023

397

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Catalysis of C-N Coupling on High-Entropy Alloys

Mads Kastrup Plenge, Jack Kirk Pedersen, Alexander Bagger, Jan Rossmeisl

Version 1 posted 16 November 2023

306

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A Flexible Theory for Catalysis: Learning Alkaline Oxygen Reduction on Complex Solid Solutions within the Ag-Pd-Pt-Ru Composition Space

Christian M. Clausen, Olga A. Krysiak, Lars Banko, Jack K. Pedersen, Wolfgang Schuhmann, Alfred Ludwig, Jan Rossmeisl

Version 1 posted 09 May 2023

461

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