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Theoretical and Computational Chemistry

Working Paper

Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo

Gregory Ross, Ellery Russell, Yuqing Deng, Chao Lu, Edward Harder, Robert Abel, Lingle Wang

Version 1 posted 02 July 2020

1,149

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2

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Inorganic Chemistry

Working Paper

Modulating the Coordination Properties of 4-Coordinate Copper(I) Using Catenane Ligands Composed of Differently Sized Macrocycles

Yulin Deng, Zigang Lu, Samuel Kin-Man Lai, Xiaoyong Mo, Shan He, David Lee Phillips, Edmund Chun Ming Tse, Ho Yu Au-Yeung

Version 1 posted 03 July 2024

257

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Theoretical and Computational Chemistry

Working Paper

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

Yan Yang, Yanmin Zhang, Xingye Chen, Yi Hua, Guomeng Xing, Chenglong Deng, Li Liang, Tao Lu, Yadong Chen, Haichun Liu

Version 2 posted 15 March 2021

1,473

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Materials Science

Working Paper

Machine Learning-Enhanced High-Throughput Fabrication and Optimization of Quasi-2D Ruddlesden-Popper Perovskite Solar Cells

Nastaran Meftahi, Maciej Adam Surmiak, Sebastian O. Furer, Kevin James Rietwyk, Jianfeng Lu, Sonia Ruiz Raga, Caria Evans, Monika Michalska, Hao Deng, David P. McMeekin, Tuncay Alan, Dechan Angmo, Doojin Vak, Anthony Chesman, Andrew J. Christofferson, David A. Winkler, Udo Bach, Salvy P. Russo

Version 1 posted 12 September 2022

560

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Nanoscience

Working Paper

The glycerol stabilized calcium phosphate cluster for rapid remineralization of tooth enamel by a water-triggered transformation

Bing-Qiang Lu, Xi Chen, Feng Chen, Nan Luo, Yu-Wei Deng, Hua Zeng, Yu Zhang, Jing-Yu Zhan, Xiao-Chen Xu, Gui-Zhi Cao, Jin Wen, Zhiyuan Zhang, Xi-Ping Feng, Xinquan Jiang

Version 1 posted 05 June 2023

330

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Organic Chemistry

Working Paper

Construction of axial chirality via asymmetric radical trapping by cobalt under visible light

Liang-Qiu Lu, Wen-Jing Xiao, Xuan Jiang, Wei Xiong, Shuang Deng, Fu-Dong Lu, Yue Jia, Qian Yang, Li-Yuan Xue, Xiaotian Qi, Jon A. Tunge

Version 1 posted 18 January 2022

700

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Organic Chemistry

Working Paper

Collective Total Syntheses of Benzo[c]phenanthridine Alkaloids via A Sequential Transition Metal-Catalyzed Pot-Economy Approach

Jiayue Fu, Bingbing Li, Xinxiu Wang, He Wang, Minghui Deng, Huali Yang, Bin Lin, Maosheng Cheng, Lu Yang, Yongxiang Liu

Version 1 posted 16 August 2022

311

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1

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Materials Chemistry

Working Paper

Kinetically Controlled Synthesis of Metallic Glass Nanoparticles with Expanded Phase Space

Bing Deng, Zhe Wang, Zhen-Yu Wu, Lu Ma, Chi Choi, Gang Li, Zhe Yuan, Jinhang Chen, Duy Luong, Lucas Eddy, Bongki Shin, Alexander Lathem, Weiyin Chen, Yi Cheng, Yimo Han, Boris Yakobson, Haotian Wang, Yufeng Zhao, James Tour

Version 1 posted 28 March 2023

456

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Organic Chemistry

Working Paper

Microbe Engineering of Guaia-6,10(14)-diene as a Building Block for the Semisynthetic Production of Plant-Derived (−)-Englerin A

Thomas Siemon, Zhangqian Wang, Guangkai Bian, Tobias Seitz, Ziling Ye, Yan Lu, Shu Cheng, Yunkun Ding, Zixin Deng:, Tiangang Liu, Mathias Christmann

Version 1 posted 27 November 2019

584

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Materials Science

Working Paper

Metal Bond Strength Regulation Enables Large-scale Synthesis of Intermetallic Nanocrystals for Practical Fuel Cells

Jiashun Liang, Yangyang Wan, Houfu Lv, Xuan Liu, Fan Lv, Shenzhou Li, Jia Xu, Zhi Deng, Junyi Liu, Siyang Zhang, Yingjun Sun, Gang Lu, Jiantao Han, Guoxiong Wang, Yunhui Huang, Shaojun Guo, Qing Li

Version 2 posted 31 January 2023

911

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Refine Search

11 results in Lu Deng in Authors: Lu Deng

Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo

Modulating the Coordination Properties of 4-Coordinate Copper(I) Using Catenane Ligands Composed of Differently Sized Macrocycles

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

Machine Learning-Enhanced High-Throughput Fabrication and Optimization of Quasi-2D Ruddlesden-Popper Perovskite Solar Cells

The glycerol stabilized calcium phosphate cluster for rapid remineralization of tooth enamel by a water-triggered transformation

Construction of axial chirality via asymmetric radical trapping by cobalt under visible light

Collective Total Syntheses of Benzo[c]phenanthridine Alkaloids via A Sequential Transition Metal-Catalyzed Pot-Economy Approach

Kinetically Controlled Synthesis of Metallic Glass Nanoparticles with Expanded Phase Space

Microbe Engineering of Guaia-6,10(14)-diene as a Building Block for the Semisynthetic Production of Plant-Derived (−)-Englerin A

Metal Bond Strength Regulation Enables Large-scale Synthesis of Intermetallic Nanocrystals for Practical Fuel Cells

11 results in Authors: Lu Deng