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Catalysis

Working Paper

Computationally Generated Maps of Surface Structures and Catalytic Activities for Alloy Phase Diagrams

Liang Cao, Le, Niu, Tim Mueller

Version 3 posted 13 September 2019

1,425

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Inorganic Chemistry

Working Paper

Targeting Productive Composition Space Through Machine-Learning Directed Inorganic Synthesis

Sogol Lotfi, Ziyan Zhang, Gayatri Viswanathan, Kaitlyn Fortenberry, Aria Mansouri Tehrani, Jakoah Brgoch

Version 2 posted 07 February 2020

736

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Catalysis

Working Paper

High-entropy intermetallics serve an ultrastable single-atom Pt for propane dehydrogenation

Yuki Nakaya, Eigo Hayashida, Hiroyuki Asakura, Ken-ichi Shimizu, Shinya Furukawa

Version 1 posted 11 October 2021

591

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3

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Inorganic Chemistry

Working Paper

From simple to complex crystal chemistry in the RE−Au−Tt systems (RE = La, Ce, Pr, Nd, Ho; Tt = Ge, Sn, Pb)

Sogol Lotfi, Roy Arrieta, Gordon Peterson, Pablo Delgado, Jakoah Brgoch

Version 1 posted 17 January 2022

259

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Theoretical and Computational Chemistry

Working Paper

Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures

Gayatri Viswanathan, Anton Oliynyk, Erin Antono, Julia Ling, Bryce Meredig, Jakoah Brgoch

Version 1 posted 14 January 2019

1,241

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Inorganic Chemistry

Working Paper

Homologous Lanthanide Nickel Silicides Based on Oligomeric Triangular Blocks: Crystal Structures and Physical Properties

Davide Grilli, Volodymyr Smetana, Vitalii Shtender, Sheikh Jamil Ahmed, Marcella Pani, Pietro Manfrinetti, Anja-Verena Mudring

Version 1 posted 13 August 2024

97

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Theoretical and Computational Chemistry

Working Paper

Solving the Colouring Problem in Half-Heusler Structures: Machine-Learning Predictions and Experimental Validation

Alexander Gzyl, Anton Oliynyk, Lawrence Adutwum, Arthur Mar

Version 1 posted 28 March 2019

618

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Refine Search

7 results in Intermetallics in Keywords: Intermetallics

Computationally Generated Maps of Surface Structures and Catalytic Activities for Alloy Phase Diagrams

Targeting Productive Composition Space Through Machine-Learning Directed Inorganic Synthesis

High-entropy intermetallics serve an ultrastable single-atom Pt for propane dehydrogenation

From simple to complex crystal chemistry in the RE−Au−Tt systems (RE = La, Ce, Pr, Nd, Ho; Tt = Ge, Sn, Pb)

Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures

Homologous Lanthanide Nickel Silicides Based on Oligomeric Triangular Blocks: Crystal Structures and Physical Properties

Solving the Colouring Problem in Half-Heusler Structures: Machine-Learning Predictions and Experimental Validation

7 results in Keywords: Intermetallics