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Theoretical and Computational Chemistry

Working Paper

Holistic Prediction of pKa in Diverse Solvents Based on Machine Learning Approach

Qi Yang, Yao Li, Jin-Dong Yang, Yidi Liu, Long Zhang, Sanzhong Luo, Jin-Pei Cheng

1,133

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Theoretical and Computational Chemistry

Working Paper

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

Cheng Peng, Zhengdan Zhu, Yulong Shi, Xiaoyu Wang, Kaijie Mu, Yanqing Yang, Xinben Zhang, Zhijian Xu, weiliang zhu

2,986

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Materials Science

Working Paper

Tunable Circularly Polarized Luminescence from Molecular Assemblies of Chiral AIEgens

Fengyan Song, yanhua Cheng, Qiuming Liu, Jacky W. Y. Lam, Fafu Yang, Ben Zhong Tang

485

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Energy

Working Paper

Stabilizing Lithium Metal Anode by Ion Depletion-Induced Phase Transformation in Polymer Electrolytes

Qian Cheng, yupeng miao, Zhe Liu, James Borovilas, Hanrui Zhang, Shuwei Liu, Haozhen Wang, Xi Chen, Long-Qing Chen, Wei Min, Yuan Yang

653

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Organic Chemistry

Working Paper

Au(I)-Catalyzed 6-endo-dig Cyclizations of Aromatic 1,5-Enynes to 2-(Naphthalen-2-yl)anilines Leading to Divergent Syntheses of Benzo[α]carbazole, Benzo[c,h]cinnoline and Dibenzo[i]phenanthridine Derivatives

Jiayue Fu, Bingbing Li, Xiugui Wang, Qida Liang, Xiaoshi Peng, Lu Yang, Tao Wan, Xinxiu Wang, Bin Lin, Maosheng Cheng, Yongxiang Liu

179

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Theoretical and Computational Chemistry

Working Paper

Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface

Qizhang Jia, Cheng Yang, B. Jill Venton, Kateri H. DuBay

246

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Biological and Medicinal Chemistry

Working Paper

Heparan Sulfate Glycomimetics via Iterative Assembly of “Clickable” Disaccharides

Cangjie Yang, Yu Deng, Yang Wang, Chaoshuang Xia, Putthipong Booneimsri, Chanthakarn Lertmaneedang, Akul Y Mehta, Kelly J Baker, Seung Hwang, James P Flynn, Muqing Cao, Chao Liu, Alec C Zhu, Richard D Cummings, Cheng Lin, Udayan Mohanty, Jia Niu

298

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Materials Chemistry

Working Paper

Heteroatom-Doped [4]Triangulene: Facile Synthesis and Two-Dimensional On-Surface Self-Assemblies

Cheng Chen, Jiayi Lu, Yang Lv, Yuyi Yan, Qiang Sun, Akimitsu Narita, Klaus Müllen, Xiao-Ye Wang

438

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Catalysis

Working Paper

[email protected]: a Unique Catalyst for Hydrogenolysis of Biomass-derived 5-Hydroxymethylfurfural to 2,5-Dimethylfuran

Shuang Xiang, Lin Dong, Zhiqiang Wang, Xue Han, Luke Daemen, Yongqiang Cheng, Yong Guo, Xiaohui Liu, Anibal J Ramirez-Cuesta, Sihai Yang, Xue-Qing Gong, Yanqin Wang

187

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Organic Chemistry

Working Paper

Hydrothermal Water Enabling One-Pot Transformation of Amines to Alcohols

Lanxin Wu, Jiong Cheng, Xiaoguang Wang, Yang Yang

291

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40 results in Cheng Yang in Authors: Cheng Yang

Holistic Prediction of pKa in Diverse Solvents Based on Machine Learning Approach

Computational study of the strong binding mechanism of SARS-CoV-2 spike and ACE2

Tunable Circularly Polarized Luminescence from Molecular Assemblies of Chiral AIEgens

Stabilizing Lithium Metal Anode by Ion Depletion-Induced Phase Transformation in Polymer Electrolytes

Au(I)-Catalyzed 6-endo-dig Cyclizations of Aromatic 1,5-Enynes to 2-(Naphthalen-2-yl)anilines Leading to Divergent Syntheses of Benzo[α]carbazole, Benzo[c,h]cinnoline and Dibenzo[i]phenanthridine Derivatives

Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface

Heparan Sulfate Glycomimetics via Iterative Assembly of “Clickable” Disaccharides

Heteroatom-Doped [4]Triangulene: Facile Synthesis and Two-Dimensional On-Surface Self-Assemblies

[email protected]: a Unique Catalyst for Hydrogenolysis of Biomass-derived 5-Hydroxymethylfurfural to 2,5-Dimethylfuran

Hydrothermal Water Enabling One-Pot Transformation of Amines to Alcohols

40 results in Authors: Cheng Yang