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Inorganic Chemistry

Working Paper

Optimizing spin qubit performance of lanthanide-based metal−organic frameworks

Xiya Du, Lei Sun

Version 1 posted 19 September 2024

338

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Theoretical and Computational Chemistry

Working Paper

Building Machine Learning Force Fields of Proteins with Fragment-Based Approach and Data Transfer

Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li, Shuhua Li

Version 3 posted 18 June 2021

1,485

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Catalysis

Working Paper

N-Heterocyclic Carbene/Magnesium Co-catalyzed Radical Relay Assembly of Aliphatic Keto-nitriles

Lei Chen, Shiyi Jin, Jian Gao, Tongtong Liu, Yuebo Shao, Jie Feng, Kangyi Wang, Tao Lu, Ding Du

Version 1 posted 30 September 2020

540

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Biological and Medicinal Chemistry

Working Paper

Cofactor-Independent Pinacolase Directs Non-Diels-Alderase Biogenesis of the Brevianamides

Ying Ye, Lei Du, Xingwang Zhang, Sean A. Newmister, Wei Zhang, Shuai Mu, Atsushi Minami, Morgan McCauley, Juan V. Alegre-Requena, Amy E. Fraley, Maria L. Adrover-Castellano, Nolan Carney, Vikram V. Shende, Hideaki Oikawa, Hikaru Kato, Sachiko Tsukamoto, Robert S. Paton, Robert M. Williams, David H. Sherman, Shengying Li

Version 1 posted 29 July 2019

1,067

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1

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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

1,108

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Chemical Engineering and Industrial Chemistry

Working Paper

Improved Prediction of Reaction Kinetics for Amine Absorbent-based Carbon Capture using Reactive Site-based Transition State Conformer Search Method

Qilei Liu, Sheng Xiang, Jian Du, Qingwei Meng, Lei Zhang

Version 1 posted 12 September 2023

235

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Organic Chemistry

Working Paper

Strained delta-stacked motifs of nanogridarenes achieved via Pd-PPh3-controlled diastereoselective C-H gridization

Linghai Xie, Ying Wei, Wei Huang, Xiangping Wu, Yongxia Wang, Yue Sun, Xue Du, Yongxia Yan, Chaoyang Dong, Wenjing Shi, Yuyu Liu, Juan Song, Lei YANG

Version 1 posted 25 July 2022

326

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Theoretical and Computational Chemistry

Working Paper

DeePEST-OS: A Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis

Kaipai Ren, Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu

Version 1 posted 11 June 2025

252

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Inorganic Chemistry

Working Paper

Photoluminescent rare-earth qubits embedded in a metal−organic framework as candidates for optical quantum memories

Xiya Du, Lei Sun

Version 1 posted 05 February 2025

283

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Catalysis

Working Paper

Accelerating transition state search and ligand screening for organometallic catalysis with reactive machine learning potential

Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu

Version 1 posted 28 March 2025

318

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Refine Search

10 results in Lei Du in Authors: Lei Du

Optimizing spin qubit performance of lanthanide-based metal−organic frameworks

Building Machine Learning Force Fields of Proteins with Fragment-Based Approach and Data Transfer

N-Heterocyclic Carbene/Magnesium Co-catalyzed Radical Relay Assembly of Aliphatic Keto-nitriles

Cofactor-Independent Pinacolase Directs Non-Diels-Alderase Biogenesis of the Brevianamides

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

Improved Prediction of Reaction Kinetics for Amine Absorbent-based Carbon Capture using Reactive Site-based Transition State Conformer Search Method

Strained delta-stacked motifs of nanogridarenes achieved via Pd-PPh3-controlled diastereoselective C-H gridization

DeePEST-OS: A Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis

Photoluminescent rare-earth qubits embedded in a metal−organic framework as candidates for optical quantum memories

Accelerating transition state search and ligand screening for organometallic catalysis with reactive machine learning potential

10 results in Authors: Lei Du