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Theoretical and Computational Chemistry

Working Paper

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Guolin Ke, Zhewei Wei, Zhifeng Gao, Hang Zheng

Version 1 posted 28 August 2023

1,446

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Biological and Medicinal Chemistry

Working Paper

Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis

Hua-Qi Wang, Shu-Bin Mou, Wen Xiao, Huan Zhou, Xu-Dong Hou, Su-Jing Wang, Qian Wang, Jiali Gao, Zhiyi Wei, Lijun Liu, Zheng Xiang

Version 2 posted 18 October 2021

747

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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

2,566

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2

Citations

Materials Chemistry

Working Paper

Self-adaptive photochromism

Fanxi Sun, Ang Gao, Boyun Yan, Jing Zhang, Xiangru Wang, Hanjun Zhang, Dacheng Dai, Yonghao Zheng, Xu Deng, Chen Wei, Dongsheng Wang

Version 1 posted 31 May 2024

518

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Catalysis

Working Paper

Mechanism of Particle-Mediated Inhibition of Demetalation for Single-Atom Catalytic Sites in Acidic Electrochemical Environments

Yu-Cheng Wang, Xiao-bing Gao, Wei Cheng Xu, Huan Huang, Kuang-min Zhao, Hong Ye, Zhiyou Zhou, Nan-Feng Zheng, Shigang Sun

Version 3 posted 25 April 2023

737

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Theoretical and Computational Chemistry

Working Paper

Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Gengmo Zhou, Zhifeng Gao, Qiankun Ding, Hang Zheng, Hongteng Xu, Zhewei Wei, Linfeng Zhang, Guolin Ke

Version 4 posted 07 March 2023

23,226

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100

Citations

Energy

Working Paper

Operando monitoring of gassing dynamics in lithium-ion batteries with optical fiber photothermal spectroscopy

Tianye Zheng, Haihong Bao, Feifan Chen, Jingwen Wu, Pengcheng Zhao, Hoi Lut Ho, Shoufei Gao, Yingying Wang, Jiaqiang Huang, Leiting Zhang, Steven Boles, Wei Jin

Version 1 posted 15 April 2025

222

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Catalysis

Working Paper

A single multifunctional enzyme mediates a sequential three-step biocascade

Xinxin Zhu, Gao-Wei Zheng, Yongtao Xie, Fei-Fei Chen, Wen-Qing Zheng, Ze-Xuan Wei, Jian-He Xu

Version 1 posted 13 June 2025

24

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Refine Search

8 results in Gao-Wei Zheng in Authors: Gao-Wei Zheng

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis

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

Self-adaptive photochromism

Mechanism of Particle-Mediated Inhibition of Demetalation for Single-Atom Catalytic Sites in Acidic Electrochemical Environments

Uni-Mol: A Universal 3D Molecular Representation Learning Framework

Operando monitoring of gassing dynamics in lithium-ion batteries with optical fiber photothermal spectroscopy

A single multifunctional enzyme mediates a sequential three-step biocascade

8 results in Authors: Gao-Wei Zheng