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Catalysis

Working Paper

Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

Seoin Back, Kevin Tran, Zachary Ulissi

Version 1 posted 10 April 2020

1,207

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Energy

Working Paper

A Simple Chemical Guide for Finding Novel n-type Dopable Zintl Pnictide Thermoelectric Materials

Prashun Gorai, Anuj Goyal, Eric S. Toberer, Vladan Stevanovic

Version 1 posted 10 April 2019

1,011

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Inorganic Chemistry

Working Paper

Tracking Rearrangement of Atomic Configurations During the Conversion from FAU Zeolite to CHA Zeolite

Koki Muraoka, Yuki Sada, Atsushi Shimojima, Watcharop Chaikittisilp, Tatsuya Okubo

Version 1 posted 08 April 2019

623

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Theoretical and Computational Chemistry

Working Paper

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Seoin Back, Junwoong Yoon, Nianhan Tian, Wen Zhong, Kevin Tran, Zachary Ulissi

Version 1 posted 21 May 2019

1,033

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Catalysis

Working Paper

Directed Evolution of P450 Fatty Acid Decarboxylases via High-Throughput Screening Towards Improved Catalytic Activity

Huifang Xu, Weinan Liang, Linlin Ning, Yuanyuan Jiang, Wenxia Yang, Cong Wang, Feifei Qi, Li Ma, Lei Du, Laurent Fourage, Yongjin J. Zhou, Shengying Li

Version 1 posted 11 September 2019

701

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Analytical Chemistry

Working Paper

Integrated Material and Process Evaluation of Metal-Organic Frameworks Database for Energy-efficient SF6/N2 Separation

Jaehoon Cha, Seongbin Ga, Seung-Joon LEE, Soomyung Nam, Youn-Sang Bae, Yongchul Chung

Version 3 posted 03 June 2021

778

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Analytical Chemistry

Working Paper

Glass Surface as Strong Base, ‘Green’ Heterogeneous Catalyst and Degradation Reagent

Yangjie Li, Kai-Hung Huang, Nicolás Morato, R. Graham Cooks

Version 1 posted 19 May 2021

234

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Theoretical and Computational Chemistry

Working Paper

High-Throughput Analysis of Materials for Chemical Looping Processes

Nicholas Singstock, Christopher Bartel, Aaron M. Holder, Charles B. Musgrave

Version 1 posted 20 February 2020

772

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Analytical Chemistry

Working Paper

A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery

Puneet Khurana, Lisa McWilliams, Jonathan Wingfield, Derek Barratt, Bharath Srinivasan

Version 1 posted 09 December 2020

353

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Catalysis

Working Paper

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

Seoin Back, Jonggeol Na, Zachary Ulissi

Version 1 posted 13 October 2020

1,126

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45 results in High-Throughput Screening in Keywords: High-Throughput Screening

Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

A Simple Chemical Guide for Finding Novel n-type Dopable Zintl Pnictide Thermoelectric Materials

Tracking Rearrangement of Atomic Configurations During the Conversion from FAU Zeolite to CHA Zeolite

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Directed Evolution of P450 Fatty Acid Decarboxylases via High-Throughput Screening Towards Improved Catalytic Activity

Integrated Material and Process Evaluation of Metal-Organic Frameworks Database for Energy-efficient SF6/N2 Separation

Glass Surface as Strong Base, ‘Green’ Heterogeneous Catalyst and Degradation Reagent

High-Throughput Analysis of Materials for Chemical Looping Processes

A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery

An Efficient Discovery of Active, Selective and Stable Catalysts for Electrochemical H2O2 Synthesis Through Active Motif Screening

45 results in Keywords: High-Throughput Screening