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Materials Science

Working Paper

Microporous covalent organic frameworks for sulfur hexafluoride capture and separation

Qiaobo Liao, Haocheng Xu, Can Ke, Yiying Zhang, Qingwen Han, Yifan Zhang, Yang Xu, Kai Xi

Version 1 posted 25 October 2021

323

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Inorganic Chemistry

Working Paper

Biphasic Perchlorate Activation Enabled by a Dinuclear Fe-NHC Complex

Xinyu Xu, Kai Hua, MING-TIAN ZHANG

Version 1 posted 16 April 2024

223

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Catalysis

Working Paper

Bayesian active learning of interatomic force field for molecular dynamics simulation of Pt/Ag(111)

Kai Xu, Lei Yan, Bingran You

Version 2 posted 24 December 2021

357

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Polymer Science

Working Paper

Single Crystal of a One-dimensional Covalent Organic Framework

Haisen Xu, Yi Luo, Xing Li, Pei Zhen See, Zhongxin Chen, Tianqiong Ma, Lin Liang, Kai Leng, Ibrahim Abdelwahab, Lin Wang, Runlai Li, Xiangyan Shi, Yi Zhou, Xiu Fang Lu, Xiaoxu Zhao, Cuibo Liu, Junliang Sun, Kian Ping Loh

Version 1 posted 13 January 2020

1,502

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Theoretical and Computational Chemistry

Working Paper

Multimodal Image Registration and Fusion Offer Better Spatial Resolution for Mass Spectrometry Imaging

Lei Guo, Jinyu Zhu, Keqi Wang, Kian-Kai Cheng, Jingjing Xu, Liheng Dong, Xiangnan Xu, Can Chen, Mudassir Shah, Zhangxiao Peng, Jianing Wang, Zongwei Cai, Jiyang Dong

Version 2 posted 21 December 2022

417

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Materials Science

Working Paper

RFNET: Integrating Rich Features into Neural Networks for Band Gap Prediction of Perovskite Crystals

Kun Zhang, Yang Yu, Minyan Li, Yifan Pang, Zhi Xu, Tao You, Kai Wang, Hui Liu

Version 1 posted 07 February 2023

304

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Theoretical and Computational Chemistry

Working Paper

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Leyun Wu, Liping Zhou, Mengxia Mo, Yishui Li, Jiaxin Han, Jintian Li, Yanqing Yang, Xinben Zhang, Chunye Gong, Kai Lu, Likun Gong, Chengkun Wu, Weiliang Zhu, Zhijian Xu

Version 1 posted 07 December 2021

1,125

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8

Citations

Theoretical and Computational Chemistry

Working Paper

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Tianchuan Xu, Kai Zhu, Alexandre Beautrait, Jeremie Vendome, Kenneth Borrelli, Robert Abel, Richard Friesner, Edward Miller

Version 1 posted 15 April 2022

1,208

Downloads

3

Citations

Materials Science

Working Paper

Making the Best Use of Excited-State Energy: Multimodality Theranostic Systems Based on NIR-II AIEgens

Wenhan XU, Zhijun Zhang, Miaomiao Kang, Heng Guo, Youmei Li, Haifei Wen, Michelle Mei Suet Lee, Zhaoyu Wang, Jacky W. Y. Lam, Ryan Tsz Kin Kwok, Kai Li, Lei Xi, Sijie Chen, Dong Wang, Ben Zhong Tang

Version 1 posted 19 June 2020

610

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Biological and Medicinal Chemistry

Working Paper

A two-stage MS feature dereplication strategy for natural products discovery

Ran Zhang, Beilun Wang, Chang Wang, Kaihong Huang, Zhaoguo Li, Jinling Yang, Jingyu Kuang, Lihan Ren, Mengjun Wu, Kai Zhang, Han Xie, Yu Liu, Min Wu, Yihan Wu, Fei Xu

Version 1 posted 06 June 2024

177

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Refine Search

10 results in Kai Xu in Authors: Kai Xu

Microporous covalent organic frameworks for sulfur hexafluoride capture and separation

Biphasic Perchlorate Activation Enabled by a Dinuclear Fe-NHC Complex

Bayesian active learning of interatomic force field for molecular dynamics simulation of Pt/Ag(111)

Single Crystal of a One-dimensional Covalent Organic Framework

Multimodal Image Registration and Fusion Offer Better Spatial Resolution for Mass Spectrometry Imaging

RFNET: Integrating Rich Features into Neural Networks for Band Gap Prediction of Perovskite Crystals

The effect of the multiple mutations in Omicron RBD on its binding to human ACE2 receptor and immune evasion: an investigation of molecular dynamics simulations

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Making the Best Use of Excited-State Energy: Multimodality Theranostic Systems Based on NIR-II AIEgens

A two-stage MS feature dereplication strategy for natural products discovery

10 results in Authors: Kai Xu