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Theoretical and Computational Chemistry

Working Paper

PAH101: A GW +BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals

Siyu Gao, Xingyu Liu, Yiqun Luo, Xiaopeng Wang, Kaiji Zhao, Vincent Chang, Bohdan Schatschneider, Noa Marom

Version 2 posted 11 December 2024

146

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Theoretical and Computational Chemistry

Working Paper

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Zhenbin Wang, Xingyu Guo, Joseph H. Montoya, Jens Kehlet Nørskov

Version 1 posted 24 August 2020

397

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Biological and Medicinal Chemistry

Working Paper

Optimization of binding affinities in chemical space with generative pretrained transformer and deep reinforcement learning

Xiaopeng Xu, Juexiao Zhou, Chen Zhu, Qing Zhan, Zhongxiao Li, Ruochi Zhang, Yu Wang, Xingyu Liao, Xin Gao

Version 1 posted 03 April 2023

370

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Biological and Medicinal Chemistry

Working Paper

H2S Scavenger as A Universal Strategy to Deplete Bacteria-derived H2S for Antibacterial Sensitization

Ye Gao, Xu Wang, Xia Wang, Ziwei Hu, Miao Liu, Chunhua Qiao, Yipeng Wang, Xingyue Ji

Version 1 posted 02 March 2023

306

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Materials Science

Working Paper

What We Can Learn from Watermelon Skin for the Design of Artificial Ion-Transport Membranes

Liu Qinglu, Tang Tang, Tian Ziyu, Ding Shiwen, Wang Linqin, Chen Dexin, Wang Zhiwei, Zheng Wentao, Lee husileng, Lu Xingyu, Miao Xiaohe, Liu Lin, Licheng Sun

Version 1 posted 04 December 2023

197

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Chemical Engineering and Industrial Chemistry

Working Paper

Si-Cr alloy anodes for Lithium-ion batteries Synthesized by a High-energy Ball-milling method: Microstructure, Carbon Coating, and Electrochemistry

Xingyu Zhang, Luqi Wang, Tianye Zheng, Kwok-ho Lam

Version 1 posted 10 April 2023

256

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1

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Chemical Education

Working Paper

Multipurpose DIY Spectrophotometer for Teaching Analytical Chemistry

Yuguang Li, Gina Delmonache, Pratahdeep Gogoi, Xiaoli Ge, Xingyu Wang, Rachel Snider, Timothy Cook, Ziyun Wang

Version 1 posted 19 June 2024

260

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Refine Search

7 results in Xingyu Wang in Authors: Xingyu Wang

PAH101: A GW +BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals

Predicting Aqueous Stability of Solid with Computed Pourbaix Diagram using SCAN Functional

Optimization of binding affinities in chemical space with generative pretrained transformer and deep reinforcement learning

H2S Scavenger as A Universal Strategy to Deplete Bacteria-derived H2S for Antibacterial Sensitization

What We Can Learn from Watermelon Skin for the Design of Artificial Ion-Transport Membranes

Si-Cr alloy anodes for Lithium-ion batteries Synthesized by a High-energy Ball-milling method: Microstructure, Carbon Coating, and Electrochemistry

Multipurpose DIY Spectrophotometer for Teaching Analytical Chemistry

7 results in Authors: Xingyu Wang