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Materials Chemistry

Working Paper

Supervariate ceramics: ice-like solids, stress-induced liquefaction, and biomineralization

Jie Pan, Chong Wang, Jing Zhong, Hongkun Li, Zhengtao Xu, Jian Lu, Yang Yang LI

Version 1 posted 02 May 2022

183

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Theoretical and Computational Chemistry

Working Paper

Pocket Crafter: A 3D Generative Modeling Based Workflow for the Rapid Generation of Hit Molecules in Drug Discovery

Lingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang

Version 1 posted 09 October 2023

909

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Organic Chemistry

Working Paper

Synthesis of Diverse Terpenoid Frameworks via Enzyme-Enabled Abiotic Scaffold Hop

Heping Deng, Junhong Yang, Fuzhuo Li, Jian Li, Hans Renata

Version 2 posted 04 November 2024

953

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Theoretical and Computational Chemistry

Working Paper

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Bai Xue, Qingyi Yang, Qiaochu Zhang, Xiao Wan, Dong Fang, Xiaolu Lin, Guangxu Sun, Gianpaolo Gobbo, Fenglei Cao, Alan Mathiowetz, Benjamin Burke, Robert Kumpf, Brajesh Rai, Geoffrey Wood, Frank Pickard, Junmei Wang, Peiyu Zhang, Jian Ma, Alan Jiang, Shuhao Wen, Xinjun Hou, Junjie Zou, Mingjun Yang

Version 3 posted 09 November 2023

1,189

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Theoretical and Computational Chemistry

Working Paper

Norm-conserving 5f-in-core Pseudopotentials and Gaussian Basis Sets Optimized for Tri- and Tetra-Valent Actinides (An = Pa-Lr)

Jun-Bo Lu, Yang-Yang Zhang, Jian-Biao Liu, Jun Li

Version 1 posted 13 September 2024

89

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Organic Chemistry

Working Paper

B(C6F5)3-Catalyzed Formal (n+3) (n = 5,6) Cycloaddition of Bicyclo[1.1.0]butanes to Medium Bicyclo[n.1.1]alkanes

Liangliang Yang, Haiyang Wang, Ming Lang, Jian Wang, Shiyong Peng

Version 1 posted 15 March 2024

687

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Organic Chemistry

Working Paper

A CO2-Catalyzed Transamidation Reaction

Yang Yang, Jian Liu, JIWOONG LEE

Version 1 posted 21 October 2020

1,119

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Organic Chemistry

Working Paper

Enantioselective Construction of Trialkyl Tertiary Centers via Ni-Catalyzed Markovnikov Hydrocarbofunctionalizations of Unactivated Olefins and Electrophiles

Wei Shu, Peng-Fei Yang, Jian-Xin Liang, Han-Tong Zhao, Jian-Xin Zhang, Xian-Wang Zeng

Version 1 posted 16 March 2021

1,413

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3

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Materials Science

Working Paper

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Daniil Bash, Yongqiang Cai, Chellappan Vijila, Swee Liang Wong, Yang Xu, Pawan Kumar, Jin Da Tan, Anas Abutaha, Jayce Jian Wei Cheng, Yee Fun Lim, Isaac Parker Siyu Tian, Zekun Ren, Wai Kuan Wong, Flore Mekki-Berrada, Jatin Nitin Kumar, Saif Khan, Qianxiao Li, Tonio Buonassisi, Kedar Hippalgaonkar

Version 1 posted 23 November 2020

369

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Organic Chemistry

Review

Recent Advances in Multiple Heterohelicenes

Jun-Jian Shen, Wen-Wen Yang

Version 1 posted 23 June 2022

359

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Refine Search

36 results in Jian Yang in Authors: Jian Yang

Supervariate ceramics: ice-like solids, stress-induced liquefaction, and biomineralization

Pocket Crafter: A 3D Generative Modeling Based Workflow for the Rapid Generation of Hit Molecules in Drug Discovery

Synthesis of Diverse Terpenoid Frameworks via Enzyme-Enabled Abiotic Scaffold Hop

Development and Comprehensive Benchmark of a High Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation

Norm-conserving 5f-in-core Pseudopotentials and Gaussian Basis Sets Optimized for Tri- and Tetra-Valent Actinides (An = Pa-Lr)

B(C6F5)3-Catalyzed Formal (n+3) (n = 5,6) Cycloaddition of Bicyclo[1.1.0]butanes to Medium Bicyclo[n.1.1]alkanes

A CO2-Catalyzed Transamidation Reaction

Enantioselective Construction of Trialkyl Tertiary Centers via Ni-Catalyzed Markovnikov Hydrocarbofunctionalizations of Unactivated Olefins and Electrophiles

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Recent Advances in Multiple Heterohelicenes

36 results in Authors: Jian Yang