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Theoretical and Computational Chemistry

Working Paper

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation

Xiao Liu, Lei Zheng, Chu Qin, Yalong Cong, John Z. H. Zhang, Zhaoxi Sun

Version 1 posted 27 February 2023

167

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2

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Polymer Science

Working Paper

Hydrogen Bonding-Induced Oxygen Clusters and Long-Lived Room Temperature Phosphorescence from Amorphous Polylols

Bin Liu, Kang Chen, Ya-Ling Wang, Hai-Ru Li, Bo Chu, Zi-Shan Yan, Hao-Ke Zhang, Yong-Zhen Yang, Shengliang Hu, Xing-Hong Zhang

Version 1 posted 09 June 2022

228

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Organic Chemistry

Working Paper

Generation and Application of alpha,alpha-diboryl Radicals via Thiyl Radical Catalyzed Ring Opening of Vinyl Cyclopropyl Diborons: cis-Diastereoselective Borylative Cycloaddition with Alkenes

Het Vyas, Ashvin Gangani, Aiswarya Mini, Shengjia Lin, Jia-Min Chu, Caitlyn Agee, Justin Gabriel, R. Thomas Willamson, Yong Zhang, Abhishek Sharma

Version 1 posted 24 August 2023

521

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Theoretical and Computational Chemistry

Working Paper

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: I. Standard Procedure

Xiao Liu, Lei Zheng, Chu Qin, John Z.H. Zhang, Zhaoxi Sun

Version 1 posted 11 July 2022

242

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1

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Polymer Science

Working Paper

Stereodivergent Synthesis of Enantiopure Oligomers with Tailored Physical Properties

Guofeng Li, Zixuan Huang, Benjamin Noble, Donald Thomas, Yingying Chu, Ruizhe Liu, Lei Zhang, Kotaro Satoh, Masami Kamigaito, Mchelle Coote, Xing Wang, Jiangtao Xu

Version 1 posted 29 March 2023

185

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Organic Chemistry

Working Paper

Formaldehyde-mediated Hydride Liberation of Alkylamines for Intermolecular Reactions in HFIP

Shaokun Cai, Hong Tang, Bo Li, Yingbo Shao, Danqi Zhang, Hanliang Zheng, Xin Chu, Gang He, Xiao-Song Xue, Gong Chen

Version 1 posted 03 October 2023

626

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Catalysis

Working Paper

Radical-Mediated Regiodivergent C(sp3)–H Functionalization of N-Substituted Indolines via Enzymatic Carbene Transfer

Bo Couture, Ru Cui, Jia-Min Chu, Yong Zhang, Rudi Fasan

Version 1 posted 10 May 2024

527

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Theoretical and Computational Chemistry

Working Paper

Aurivillius Halide Perovskite: A New Family of Two-Dimensional Materials for Optoelectronic Applications

Shuai Zhao, Chunfeng Lan, Huanhuan Li, Chu Zhang, Tingli Ma

Version 1 posted 06 September 2019

704

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Catalysis

Working Paper

New Carbene Donor for Biocatalysis: Stereodivergent Synthesis of Pyridyl Cyclopropanes via Enzymatic Activation of Pyridyltriazoles

Satyajit Roy, Yining Wang, Xinyi Zhao, Thakshila Dayananda, Jia-Min Chu, Yong Zhang, Rudi Fasan

Version 1 posted 07 May 2024

282

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Theoretical and Computational Chemistry

Working Paper

Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach

Ashim Nandi, Aoxuan Zhang, Zhen Tao Chu, Wen Jun Xie, Zhongxin Xu, Suwei Dong, Arieh Warshel

Version 2 posted 29 March 2024

247

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11 results in Chu Zhang in Authors: Chu Zhang

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation

Hydrogen Bonding-Induced Oxygen Clusters and Long-Lived Room Temperature Phosphorescence from Amorphous Polylols

Generation and Application of alpha,alpha-diboryl Radicals via Thiyl Radical Catalyzed Ring Opening of Vinyl Cyclopropyl Diborons: cis-Diastereoselective Borylative Cycloaddition with Alkenes

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: I. Standard Procedure

Stereodivergent Synthesis of Enantiopure Oligomers with Tailored Physical Properties

Formaldehyde-mediated Hydride Liberation of Alkylamines for Intermolecular Reactions in HFIP

Radical-Mediated Regiodivergent C(sp3)–H Functionalization of N-Substituted Indolines via Enzymatic Carbene Transfer

Aurivillius Halide Perovskite: A New Family of Two-Dimensional Materials for Optoelectronic Applications

New Carbene Donor for Biocatalysis: Stereodivergent Synthesis of Pyridyl Cyclopropanes via Enzymatic Activation of Pyridyltriazoles

Exploring the Light-Emitting Agents in Renilla Luciferases by an Effective QM/MM Approach

11 results in Authors: Chu Zhang