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Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

890

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Catalysis

Working Paper

Photocatalytic selective 1,2-hydroxyacylmethylation of 1,3-dienes with sulfur ylides as source of alkyl radicals

Shuang-Hua Xu, Dong-Mei Yan, Li Rao, Min Jiang, Ya-Li Wu, Wen-Jing Xiao, Jia-Rong Chen

Version 1 posted 24 February 2022

587

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Materials Chemistry

Working Paper

Acid-in-clay electrolyte for wide-temperature-range and long-cycle proton batteries

Shitong Wang, Heng Jiang, Yanhao Dong, David Clarkson, He Zhu, Charles Settens, Yang Ren, Thanh Nguyen, Fei Han, Weiwei Fan, So Yeon Kim, Jianan Zhang, Weijiang Xue, Sean Sandstrom, Guiyin Xu, Emre Tekoglu, Mingda Li, Sili Deng, Qi Liu, Steven Greenbaum, Xiulei Ji, Tao Gao, Ju Li

Version 1 posted 17 January 2022

598

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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

650

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Catalysis

Working Paper

Supported metal catalysts with single-atom promoters via reductive atom trapping

Dong Jiang, Hien Pham, Yixiao Li, Yubing Lu, Wenda Hu, Gang Wan, Chaochao Dun, Junrui Li, Carlos García-Vargas, Yipeng Sun, Anthony Savoy, Weixin Huang, Rui Zhang, Andrew DeLaRiva, R. Soyoung Kim, Xiang Li, Jeffrey Urban, Junko Yano, Kelly Shelly, Chengjun Sun, Konstantin Khivantsev, Christopher Tassone, Jianzhi Hu, Janos Szanyi, Abhaya Datye, Yong Wang

Version 1 posted 15 November 2023

260

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Biological and Medicinal Chemistry

Working Paper

Double Lock the COVID 19: Inhibit SARS COV 2 Replication and Suppress Inflammation Cytokine Level by the Golden Compounds

Zhesheng He, Chunyu Zhang, Zhongying Du, Wencong Zhao, Wenchao Niu, Yucong Gao, Yuhui Dong, Jiadong Fan, Bo he, Peng Cao, Huaidong Jiang, Gong Yong, Xueyun Gao

Version 1 posted 29 June 2020

479

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Organic Chemistry

Working Paper

Metal-Free Radical Vicinal Dihalogenation of Olefins Enabled by Synergetic Photocatalytic Energy Transfer and Halogen-Atom Transfer

Bing Han, Hong-Chen Wang, Min-Hao Qi, Tu-Ming Liu, Peng-Fei Zhao, Chang-Yuan Xu, Dong- Tai Xie, Hao-Luo Jiang, Yi-Fan Li, Xiao-Heng Wang

Version 1 posted 24 April 2024

208

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Theoretical and Computational Chemistry

Working Paper

Machine Learning Force Field Aided Cluster Expansion Approach to Configurationally Disordered Materials: Critical Assessment of Training Set Selection and Size Convergence

Jun-Zhong Xie, Xu-Yuan Zhou, Dong Luan, Hong Jiang

Version 1 posted 28 February 2022

381

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Catalysis

Working Paper

Transforming CeO2 nanoparticles into ultra small ceria clusters on alumina enhances catalytic activity

Konstantin Khivantsev, Hien Pham, Mark Engelhard, Hristiyan Aleksandrov, Libor Kovarik, Xiaohong Li, Jinshu Tian, Iskra Koleva, Inhak Song, Wenda Hu, Xinyi Wei, Yipeng Sun, Pascaline Tran, Trent Graham, Dong Jiang, David P. Dean, Christian J. Breckner, Jeffrey T. Miller, Georgi Vayssilov, Janos Szanyi, Abhaya Datye, Yong Wang

Version 3 posted 26 October 2023

769

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9 results in Dong Jiang in Authors: Dong Jiang

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Photocatalytic selective 1,2-hydroxyacylmethylation of 1,3-dienes with sulfur ylides as source of alkyl radicals

Acid-in-clay electrolyte for wide-temperature-range and long-cycle proton batteries

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

Supported metal catalysts with single-atom promoters via reductive atom trapping

Double Lock the COVID 19: Inhibit SARS COV 2 Replication and Suppress Inflammation Cytokine Level by the Golden Compounds

Metal-Free Radical Vicinal Dihalogenation of Olefins Enabled by Synergetic Photocatalytic Energy Transfer and Halogen-Atom Transfer

Machine Learning Force Field Aided Cluster Expansion Approach to Configurationally Disordered Materials: Critical Assessment of Training Set Selection and Size Convergence

Transforming CeO2 nanoparticles into ultra small ceria clusters on alumina enhances catalytic activity

9 results in Authors: Dong Jiang