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Theoretical and Computational Chemistry

Working Paper

Emergency Antiviral Drug Discovery During a Pandemic - a Case Study on the Application of Natural Compounds to Treat COVID-19

Jianfeng Yu, Shengxi Shao, Bin Liu, Zhihao Wang, Yi-Zhou Jiang, Yunqing Li, Feng Chen, Bing Liu

Version 1 posted 15 May 2020

817

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3

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Catalysis

Working Paper

Outstanding Performance of Highly-Dispersed Zinc Species on Zeolites for the Continuous and Selective Dehydrogenation of Ethane with CO2 as Soft Oxidant

Jiaxu Liu, Ning He, Zhenmei Zhang, Jinpeng Yang, Xiao Jiang, Ji Su, Miao Shu, Rui Si, Guang Xiong, Hong-bin Xie, Gianvito Vilé

Version 1 posted 19 November 2020

455

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Analytical Chemistry

Working Paper

CSI-LSTM: A Web Server to Predict Protein Secondary Structure Using Bidirectional Long Short Term Memory and NMR Chemical Shifts

Zhiwei Miao, Qianqian Wang, Xiongjie Xiao, Linhong Song, Xu Zhang, Conggang Li, Xin Zhou, Bin Jiang, Maili Liu, 滨蒋

Version 1 posted 03 June 2021

393

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Materials Chemistry

Working Paper

A Self-Improving Photosensitizer Discovery System via Bayesian Optimization and Quantum Chemical Calculation

Shidang Xu, Jiali Li, Pengfei Cai, Xiaoli Liu, Bin Liu, Xiaonan Wang

Version 1 posted 11 June 2021

403

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Organic Chemistry

Working Paper

Synthesis of γ-alkenylated δ-sultones via Brønsted base-catalyzed Michael addition-SuFEx click reaction of allyl ketones and ethenesulfonyl fluorides

Lin He, Fang Zhang, Qichao Zhang, Jichang Liu, Bin Dai

Version 1 posted 17 November 2022

339

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Materials Chemistry

Working Paper

Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principles Understanding and Machine Learning

Shidang Xu, Pengfei Cai, Jiali Li, Xianhe Zhang, Xianglong Liu, Xiaonan Wang, Bin Liu

Version 1 posted 15 September 2021

565

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Physical Chemistry

Working Paper

SolvBERT for solvation free energy and solubility prediction: a demonstration of an NLP model for predicting the properties of molecular complexes

Jiahui Yu, Chengwei Zhang, Yingying Cheng, Yun-Fang Yang, Yuan-Bin She, Fengfan Liu, Weike Su, An Su

Version 3 posted 06 October 2022

774

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Materials Chemistry

Working Paper

Topologically Engineering of π-Conjugated Macrocycles: Tunable Emissions and Photochemical Reactions

Yi Liu, Yang Feng, Peng Lei, Xindong Liu, Xiaoqing Liu, Siqi Zhang, Bin Tu, Chen Chen, Qing-Dao Zeng, Lei Wang

Version 1 posted 07 December 2022

344

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Theoretical and Computational Chemistry

Working Paper

Towards a Density-Based Description of Chemical Bonds and Noncovalent Interactions with Pauli Energy

Shubin Liu, Shujing Zhong, Xin He, Siyuan Liu, Bin Wang, Tian Lu, Chunying Rong

Version 1 posted 03 January 2022

260

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Analytical Chemistry

Working Paper

Restore high-resolution NMR spectra from inhomogeneous magnetic fields using neural network

Xiongjie Xiao, Qianqian Wang, Xu Zhang, Bin Jiang, Maili Liu

Version 1 posted 09 June 2023

252

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56 results in Liu Bin in Authors: Liu Bin

Emergency Antiviral Drug Discovery During a Pandemic - a Case Study on the Application of Natural Compounds to Treat COVID-19

Outstanding Performance of Highly-Dispersed Zinc Species on Zeolites for the Continuous and Selective Dehydrogenation of Ethane with CO2 as Soft Oxidant

CSI-LSTM: A Web Server to Predict Protein Secondary Structure Using Bidirectional Long Short Term Memory and NMR Chemical Shifts

A Self-Improving Photosensitizer Discovery System via Bayesian Optimization and Quantum Chemical Calculation

Synthesis of γ-alkenylated δ-sultones via Brønsted base-catalyzed Michael addition-SuFEx click reaction of allyl ketones and ethenesulfonyl fluorides

Accelerated Design of Near-Infrared-II Molecular Fluorophores via First-Principles Understanding and Machine Learning

SolvBERT for solvation free energy and solubility prediction: a demonstration of an NLP model for predicting the properties of molecular complexes

Topologically Engineering of π-Conjugated Macrocycles: Tunable Emissions and Photochemical Reactions

Towards a Density-Based Description of Chemical Bonds and Noncovalent Interactions with Pauli Energy

Restore high-resolution NMR spectra from inhomogeneous magnetic fields using neural network

56 results in Authors: Liu Bin