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Theoretical and Computational Chemistry

Working Paper

Ab initio Molecular Dynamics of CdSe Quantum Dots Doped Glasses

Wenke Li, Xiujian Zhao, Chao Liu, François-Xavier Coudert

Version 1 posted 15 November 2019

619

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Analytical Chemistry

Working Paper

Unifying the Alkaline Hydrogen Evolution/oxidation Reactions Kinetics by Identifying the Roles of Hydroxyl-Water-Cation Adducts

Ershuai Liu, Jingkun Li, Li Jiao, Huong Thi Thanh Doan, Zeyan Liu, Zipeng Zhao, Yu Huang, Kuzhikalail. M. Abraham, Sanjeev Mukerjee, Qingying Jia

Version 1 posted 27 September 2018

817

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Organic Chemistry

Working Paper

Visible-Light-Driven Reductive Carboarylation of Styrenes with CO2 and Aryl Halides

Hao Wang, yuzhen gao, Chunlin Zhou, Gang Li

Version 1 posted 13 December 2019

923

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Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 1 posted 29 July 2020

294

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Physical Chemistry

Working Paper

Red Room-Temperature Phosphorescent Diimides: Molecular Design and Application

Jiajun Du, Fan Liao, Ziye Wu, Wenhuan Huang, Fei Li, Jiaxiang Dou, Hui Miao, Xiaofeng Chen, Xuepeng Zhang, Jun Jiang, Guoqing Zhang

Version 1 posted 10 September 2019

1,011

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Catalysis

Working Paper

Enabling in vivo Photocatalytic Activation of Rapid Bioorthogonal Chemistry by Repurposing Si-Rhodamine Fluorophores as Cytocompatible Far-Red Photocatalysts

Chuanqi Wang, He Zhang, Tao Zhang, Xiaoyu Zou, Hui Wang, Julia Rosenberger, Raghu Vannam, William Trout, Xinqiao Jia, Zibo Li, Joseph Fox

Version 1 posted 04 January 2021

606

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Materials Science

Working Paper

A Size-Matching Strategy to Differentiate Flexible Conformers for the Discovery of Novel Cages with Twin Cavities

Zhenyu Yang, Chunyang Yu, Lihua Chen, Pan Li, Jiaolong Chen, Kim Jiayi Wu, Qiangyu Zhu, Yuquan Zhao, Xiaoning Liu, Shaodong Zhang

Version 1 posted 04 January 2021

544

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Materials Science

Working Paper

Branched Kissing Loops for the Construction of Diverse RNA Homooligomeric Nanostructures

Di Liu, Cody Geary, Gang Chen, Yaming Shao, Mo Li, Chengde Mao, Ebbe S. Andersen, Joseph A. Piccirilli, Paul W. K. Rothemund, Yossi Weizmann

Version 1 posted 14 March 2019

968

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Physical Chemistry

Working Paper

Oxygen-Enhanced Upconversion of near Infrared Light from Below the Silicon Band Gap

Timothy Schmidt, Elham Gholizadeh, Shyamal Prasad, Zhi Li Teh, Thilini Ishwara, Sarah Norman, Anthony J Petty, John E. Anthony, Shujuan Huang

Version 1 posted 13 March 2019

844

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3

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Organic Chemistry

Working Paper

Synthesis of α-Heterosubstituted Ketones Through Sulfur Mediated Difunctionalization of Internal Alkynes

Zhong Zhang, Hongguang Du, Jiaxi Xu, Pingfan Li

Version 1 posted 25 January 2019

862

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Refine Search

1629 results in Li Li in Authors: Li Li

Ab initio Molecular Dynamics of CdSe Quantum Dots Doped Glasses

Unifying the Alkaline Hydrogen Evolution/oxidation Reactions Kinetics by Identifying the Roles of Hydroxyl-Water-Cation Adducts

Visible-Light-Driven Reductive Carboarylation of Styrenes with CO2 and Aryl Halides

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Red Room-Temperature Phosphorescent Diimides: Molecular Design and Application

Enabling in vivo Photocatalytic Activation of Rapid Bioorthogonal Chemistry by Repurposing Si-Rhodamine Fluorophores as Cytocompatible Far-Red Photocatalysts

A Size-Matching Strategy to Differentiate Flexible Conformers for the Discovery of Novel Cages with Twin Cavities

Branched Kissing Loops for the Construction of Diverse RNA Homooligomeric Nanostructures

Oxygen-Enhanced Upconversion of near Infrared Light from Below the Silicon Band Gap

Synthesis of α-Heterosubstituted Ketones Through Sulfur Mediated Difunctionalization of Internal Alkynes

1629 results in Authors: Li Li