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Physical Chemistry

Working Paper

Force-Field Benchmark for Polydimethylsiloxane: Density, Heat Capacities, Isothermal Compressibility, Viscosity and Thermal Conductivity

Zhirui Xiang, Chao Gao, Teng Long, Lifeng Ding, Tianhang Zhou, Zhenghao Wu

Version 1 posted 29 November 2024

118

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Catalysis

Working Paper

Chiral Aldehyde Catalysis Enables Direct Asymmetric Substitution Reaction of N-Unprotected Amino Acids with Halohydrocarbons

Hao-Ran Shen, Chao-Xing Li, Xin Jiang, Yao Lin, Jian-Hua Liu, Fang Zhu, Zhu-Lian Wu, Tian Cai, Wei Wen, Rong-Xing He, Qi-Xiang Guo

Version 1 posted 20 February 2023

572

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Biological and Medicinal Chemistry

Working Paper

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

WANXIANG SHEN, Chao Cui, Xiaorui Su, Zaixi Zhang, Alejandro Velez-Arce, Jianming Wang, Xiang Cheng Shi, Yan Bing Zhang, Jie Wu, Yu Zong Chen, Marinka Zitnik

Version 2 posted 07 November 2024

938

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Theoretical and Computational Chemistry

Working Paper

Forecasting Nonadiabatic Dynamics using Hybrid Convolutional Neural Network/Long Short-Term Memory Network

Daxin Wu, Zhubin Hu, Jiebo Li, Xiang Sun

Version 1 posted 12 October 2021

366

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Materials Science

Working Paper

Intermolecular pi-pi-packing-induced thermally activated delayed fluorescence: a novel pathway toward luminescence efficiency of nearly 100%

Kai Wang, Xiao-Chun Fan, Dandan Zhang, Youichi Tsuchiya, Le Mei, Yi-Zhong Shi, Masaki Tanaka, Zesen Lin, Yi-Ting Lee, Yue Xie, Yuanyuan Pan, Xiang Zhang, Wei Liu, Gao-Le Dai, Jia-Xiong Chen, Bing Wu, Jun Zhong, Jian-Yu Yuan, Cai-Jun Zheng, Jia Yu, Alex K. Y. Jen, Xian-Kai Chen, Chun-Sing Lee, Chihaya Adachi, Xiaohong Zhang

Version 2 posted 02 February 2023

2,470

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2

Citations

Organic Chemistry

Working Paper

Self-supervised molecular pretraining strategy for low-resource reaction prediction scenarios

Chengyun Zhang, Xiang Cai, Haoran Qiao, Yun Zhang, Yejian Wu, Xinqiao Wang, Haiying Xie, Feng Luo, Hongliang Duan

Version 2 posted 27 July 2021

708

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Catalysis

Working Paper

Cu(I)-Catalyzed [3+3] Cycloaddition Reaction of Ethynyl Methylene Cyclic Carbamates and Azomethine Imines

Shi-Wu Li, Xiaoting Xie, Xiang Ji

Version 1 posted 24 October 2024

341

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Inorganic Chemistry

Working Paper

Porous soft materials with liquid-glass-crystal interconvertibility based on metal-organic polyhedra

Po-Chun Han, Chia-Hui Chuang, Shang-Wei Lin, Zaoming Wang, Mako Kuzumoto, Xiangmei Xiang, Shun Tokuda, Tomoki Tateishi, Alexandre Legrand, Min Ying Tsang, Hsiao-Ching Yang, Kevin C.-W. Wu, Kenji Urayama, Dun-Yen Kang, Shuhei Furukawa

Version 1 posted 10 January 2024

646

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1

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Organic Chemistry

Working Paper

Organocatalytic Asymmetric α-C-H Functionalization of Alkyl Amines

Tianran Deng, Xiang-Lei Han, Cheng Cheng, Xiangyuan Liu, Yang Yu, Yuhong Gao, Keqiang Wu, Zhenghua Li, Jisheng Luo, Li Deng

Version 1 posted 13 October 2023

1,174

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1

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Nanoscience

Working Paper

In Situ Assembly of Platinum (II)-Metallopeptide Nanostructures Inhibits Energy Homeostasis and Cellular Metabolism

Zhixuan Zhou, Konrad Maxeiner, Pierpaolo Moscariello, Siyuan Xiang, Yingke Wu, Colette J. Whitfield, Lujuan Xu, Anke Kaltbeitzel, Shen Han, David Mücke, Haoyuan Qi, Manfred Wagner, Ute Kaiser, Katharina Landfester, Ingo Lieberwirth, David Y.W. Ng, Tanja Weil

Version 2 posted 02 May 2022

555

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Refine Search

14 results in Xiang Wu in Authors: Xiang Wu

Force-Field Benchmark for Polydimethylsiloxane: Density, Heat Capacities, Isothermal Compressibility, Viscosity and Thermal Conductivity

Chiral Aldehyde Catalysis Enables Direct Asymmetric Substitution Reaction of N-Unprotected Amino Acids with Halohydrocarbons

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

Forecasting Nonadiabatic Dynamics using Hybrid Convolutional Neural Network/Long Short-Term Memory Network

Intermolecular pi-pi-packing-induced thermally activated delayed fluorescence: a novel pathway toward luminescence efficiency of nearly 100%

Self-supervised molecular pretraining strategy for low-resource reaction prediction scenarios

Cu(I)-Catalyzed [3+3] Cycloaddition Reaction of Ethynyl Methylene Cyclic Carbamates and Azomethine Imines

Porous soft materials with liquid-glass-crystal interconvertibility based on metal-organic polyhedra

Organocatalytic Asymmetric α-C-H Functionalization of Alkyl Amines

In Situ Assembly of Platinum (II)-Metallopeptide Nanostructures Inhibits Energy Homeostasis and Cellular Metabolism

14 results in Authors: Xiang Wu