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Chemical Engineering and Industrial Chemistry

Working Paper

Advancing Vapor Pressure Prediction: A Machine Learning Approach with Directed Message Passing Neural Networks

Yen-Hsiang Lin, Hsin-Hao Liang, Shiang-Tai Lin, Yi-Pei Li

Version 1 posted 15 March 2024

396

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1

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Polymer Science

Working Paper

Kinetic Resolution Polymerization Enabled Chemical Synthesis of Perfectly Isotactic Polythioesters

Kun Li, Jing-Liang Cheng, Meng-Yuan Wang, Wei Xiong, Hao-Yi Huang, Liang-Wen Feng, Zhongzheng Cai, Jian-Bo Zhu

Version 1 posted 28 February 2024

238

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Theoretical and Computational Chemistry

Working Paper

Identification of the Interchromophore Interaction on Electronic Absorption and Circular Dichroism Spectra of Bis-Phenanthrenes

yuchuan Xu, Xunkun Huang, Yuchen Wang, Yi Zhao, WaZhen Liang

Version 1 posted 08 January 2024

78

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Materials Science

Working Paper

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

Subhayan Roychoudhury, Zengqing Zhuo, Ruimin Qiao, Liwen Wan, Yufeng Liang, Feng Pan, Yi-de Chuang, David Prendergast, Wanli Yang

Version 2 posted 18 June 2021

543

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Organic Chemistry

Working Paper

Template Synthesis to Solve the Unreachable Ortho C-H Func-tionalization Reaction of Iodobenzene

Bo-Sheng Zhang, Wan-Yuan Jia, Yi-Ming Wang, Svenja Warratz, Ze-Qiang Zhang, Xue-Ya Gou, Yong-Min Liang, Xi-Cun Wang, Zheng-Jun Quan, Lutz Ackermann

Version 1 posted 08 May 2023

824

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1

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Theoretical and Computational Chemistry

Working Paper

Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedion Aggregates

ShiShi Feng, Yi Zhao, WanZhen Liang

Version 1 posted 01 September 2022

157

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Theoretical and Computational Chemistry

Working Paper

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

Yan Yang, Yanmin Zhang, Xingye Chen, Yi Hua, Guomeng Xing, Chenglong Deng, Li Liang, Tao Lu, Yadong Chen, Haichun Liu

Version 2 posted 15 March 2021

1,488

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Biological and Medicinal Chemistry

Working Paper

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

benjamin eduful, Sean O'Byrne, Louisa Temme, Christopher R. M. Asquith, Yi Liang, Alfredo Picado, Joseph Pilotte, Carrow Wells, William Zuercher, Carolina Catta-Preta, Priscila Zonzini Ramos, André Santiago, rafael Counago, Christopher G Langendorf, Kevin Nay, Jonathan S Oakhill, Thomas L Pulliam, Chenchu Lin, Dominik Awad, Timothy M. Willson, Daniel E Frigo, John W. Scott, David Drewry

Version 1 posted 28 December 2020

480

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Theoretical and Computational Chemistry

Working Paper

Electronic Couplings for Singlet Fission Processes Based on The Fragment Particle-Hole Densities

Yu-Chen Wang, Shishi Feng, Yi Kong, Xunkun Huang, WanZhen Liang, Yi Zhao

Version 2 posted 25 April 2023

313

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Catalysis

Working Paper

Grain-boundary-rich Pt nanoparticle assembly for catalytic hydrogen sensing at room temperature

LONG LUO, Xin Geng, Shuwei Li, Jaeyoung Heo, Yi Peng, Wenhui Hu, Yanchao Liu, Jier Huang, Yang Ren, Dongsheng Li, Liang Zhang

Version 1 posted 16 December 2021

470

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1

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Refine Search

18 results in Yi Liang in Authors: Yi Liang

Advancing Vapor Pressure Prediction: A Machine Learning Approach with Directed Message Passing Neural Networks

Kinetic Resolution Polymerization Enabled Chemical Synthesis of Perfectly Isotactic Polythioesters

Identification of the Interchromophore Interaction on Electronic Absorption and Circular Dichroism Spectra of Bis-Phenanthrenes

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

Template Synthesis to Solve the Unreachable Ortho C-H Func-tionalization Reaction of Iodobenzene

Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedion Aggregates

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

Electronic Couplings for Singlet Fission Processes Based on The Fragment Particle-Hole Densities

Grain-boundary-rich Pt nanoparticle assembly for catalytic hydrogen sensing at room temperature

18 results in Authors: Yi Liang