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Data-science driven autonomous process optimization

Melodie Christensen, Lars Yunker, Folarin Adedeji, Florian Häse, Loic Roch, Tobias Gensch, Gabriel dos Passos Gomes, Tara Zepel, Matthew Sigman, Alan Aspuru-Guzik, Jason Hein

Version 2 posted 03 November 2020

2,439

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4

Citations

Organic Chemistry

Working Paper

Concise Synthesis of (–)-Veratramine and (–)-20-epi-Veratramine via Aromative Diels-Alder Reaction

Michael Zott, Daniel Zuschlag, Dirk Trauner

Version 2 posted 26 November 2024

2,167

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Theoretical and Computational Chemistry

Working Paper

Linking Virtual and Real Worlds: Mathematical Framework to Identify Optimal Molecule based on Virtual Ligand Strategy

Wataru Matsuoka, Ken Hirose, Ren Yamada, Taihei Oki, Satoru Iwata, Satoshi Maeda

Version 1 posted 28 March 2025

60

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Catalysis

Working Paper

Scaling Relations for Ammonia Oxidation

Rachelle Choueiri, Stephen Tatarchuk, Olivia Parker, William Cooper, Leanne Chen

Version 2 posted 18 November 2024

328

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Organometallic Chemistry

Working Paper

Expedient construction of fused polycyclic skeletons via palladium-catalyzed dearomatization of naphthalenes and benzenes.

Jinbin Zhu, Jiaqi Li, Zhenyue Li, Yuan Yuan, Zelan Zhu, Yanyan Wang, Zhonghao Deng, Qiuyan Tu, Zhiyong Tan, Shaobin Tang, Zhengwang Chen, Zhong-Xia Wang

Version 1 posted 21 February 2025

224

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Organic Chemistry

Working Paper

Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering

Wataru Matsuoka, Taihei Oki, Ren Yamada, Tomohiko Yokoyama, Shinichi Suda, Yu Harabuchi, Satoru Iwata, Satoshi Maeda

Version 1 posted 25 April 2024

326

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Catalysis

Review

Spiroindoles as Intermediates/Products in Transition Metal Catalyzed Dearomatization of Indoles

Floris Buttard, Xavier Guinchard

Version 1 posted 06 March 2023

607

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Catalysis

Review

Radical Deoxyfunctionalisation Strategies

Khadijah Anwar, Kay Merkens, Francisco José Aguilar Troyano, Adrián Gómez-Suárez

Version 1 posted 21 March 2022

1,351

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Organic Chemistry

Review

Alcohols as substrates in transition metal-catalyzed arylation, alkylation and related reactions

Adam Cook, Stephen Newman

Version 2 posted 26 March 2024

2,189

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Catalysis

Working Paper

Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis

Husain Adamji, Aditya Nandy, Ilia Kevlishvili, Yuriy Roman-Leshkov, Heather Kulik

Version 1 posted 31 March 2023

716

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Refine Search

12 results in Transition Metal Catalysis in Keywords: Transition Metal Catalysis

Data-science driven autonomous process optimization

Concise Synthesis of (–)-Veratramine and (–)-20-epi-Veratramine via Aromative Diels-Alder Reaction

Linking Virtual and Real Worlds: Mathematical Framework to Identify Optimal Molecule based on Virtual Ligand Strategy

Scaling Relations for Ammonia Oxidation

Expedient construction of fused polycyclic skeletons via palladium-catalyzed dearomatization of naphthalenes and benzenes.

Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering

Spiroindoles as Intermediates/Products in Transition Metal Catalyzed Dearomatization of Indoles

Radical Deoxyfunctionalisation Strategies

Alcohols as substrates in transition metal-catalyzed arylation, alkylation and related reactions

Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis

12 results in Keywords: Transition Metal Catalysis