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Catalysis

Working Paper

Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane-to-methanol Conversion by Fe(IV)=O

Terry Gani, Heather Janine Kulik

Version 1 posted 24 October 2017

1,083

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Catalysis

Working Paper

Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

Michael Craig, Gabriel Coulter, eoin dolan, Joaquín Soriano-López, Wolfgang Schmitt, Max Garcia-Melchor

Version 2 posted 29 April 2019

927

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Catalysis

Working Paper

Unlocking Synergy in Bimetallic Catalysts by Core-Shell Design

Jessi van der Hoeven, Jelena Jelic, Liselotte Olthof, Giorgio Totarella, Relinde J. A. van Dijk-Moes, Felix Studt, Alfons Van Blaaderen, Petra E. de Jongh

Version 1 posted 12 November 2020

1,072

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2

Citations

Catalysis

Working Paper

Charge-Controlled Pd-Catalysis Enables the Meta-C–H Activation/ Olefination of Arenes

Arup Mondal, Marina Díaz-Ruiz, Fritz Deufel, Feliu Maseras, Manuel van Gemmeren

Version 1 posted 30 June 2022

806

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Catalysis

Working Paper

Understanding the Role of Geometric and Electronic Structure in Bioinspired Catalyst Design: the Case of Formate Dehydrogenase

Mingjie Liu, Azadeh Nazemi, Michael Taylor, Aditya Nandy, Chenru Duan, Adam Steeves, Heather Kulik

Version 1 posted 30 September 2021

349

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Catalysis

Working Paper

Linear Free Energy Relationships and Transition State Analysis of CO2 Reduction Catalysts Bearing Second Coordination Spheres with Tunable Acidity

Kaeden Teindl, Brian Patrick, Eva Nichols

Version 1 posted 19 April 2023

274

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Catalysis

Working Paper

An Electrochemical Approach for Designing Thermochemical Bimetallic Nitrate Hydrogenation Catalysts

Kunal Lodaya, Bryan Yuk-Wah Tang, Ryan Bisbey, Sophia Weng, Karl Westendorff, Wei Lun Toh, Jaeyune Ryu, Yuriy Román-Leshkov, Yogesh Surendranath

Version 1 posted 27 March 2023

552

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Catalysis

Working Paper

Computationally-Guided Investigation of Dual Amine/pi Lewis Acid Catalysts for Direct Additions of Aldehydes and Ketones to Unactivated Alkenes and Alkynes

Eric Greve, Jacob D. Porter, Chris Dockendorff

Version 2 posted 21 January 2020

758

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Theoretical and Computational Chemistry

Working Paper

From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis

Mihai Burai Patrascu, Joshua Pottel, Sharon Pinus, Michelle Bezanson, Per-Ola Norrby, Nicolas Moitessier

Version 2 posted 16 October 2019

850

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1

Citations

Theoretical and Computational Chemistry

Review

Current Outlooks on Machine Learning Methods for the Development of Industrial Homogeneous Catalytic Systems

José Ferraz-Caetano

Version 1 posted 06 April 2022

347

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21 results in Catalyst design in Keywords: Catalyst design

Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane-to-methanol Conversion by Fe(IV)=O

Universal Scaling Relations for the Rational Design of Molecular Water Oxidation Catalysts with Near- Zero Overpotential

Unlocking Synergy in Bimetallic Catalysts by Core-Shell Design

Charge-Controlled Pd-Catalysis Enables the Meta-C–H Activation/ Olefination of Arenes

Understanding the Role of Geometric and Electronic Structure in Bioinspired Catalyst Design: the Case of Formate Dehydrogenase

Linear Free Energy Relationships and Transition State Analysis of CO2 Reduction Catalysts Bearing Second Coordination Spheres with Tunable Acidity

An Electrochemical Approach for Designing Thermochemical Bimetallic Nitrate Hydrogenation Catalysts

Computationally-Guided Investigation of Dual Amine/pi Lewis Acid Catalysts for Direct Additions of Aldehydes and Ketones to Unactivated Alkenes and Alkynes

From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis

Current Outlooks on Machine Learning Methods for the Development of Industrial Homogeneous Catalytic Systems

21 results in Keywords: Catalyst design