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Theoretical and Computational Chemistry

Working Paper

Deep Learning for Variational Multi-Scale Molecular Modeling

Jun Zhang, Yaokun Lei, Yi Isaac Yang, Yi Qin Gao

Version 4 posted 29 June 2020

2,078

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Organic Chemistry

Working Paper

Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids

Zi-Qi Li, Yue Fu, Ruohan Deng, Van Tran, Yang Gao, Peng Liu, Keary Engle

Version 1 posted 15 July 2020

1,297

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Organic Chemistry

Working Paper

Pd(0)-Catalyzed Directed syn-1,2-Carboboration and -Silylation: Alkene Scope, Applications in Dearomatization, and Stereocontrol via a Chiral Auxiliary

Zhen Liu, Jiahao Chen, Xiaohan Li, Yang Gao, John Coombs, Matthew Goldfogel, Keary Engle

Version 2 posted 22 July 2019

1,316

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Organic Chemistry

Working Paper

Cyclic(Alkyl)(Amino)Carbene Ligands Enable Cu-Catalyzed Markovnikov Protoboration and Protosilylation of Terminal Alkynes: A Versatile Portal to Functionalized Alkenes

Yang Gao, Sima Yazdani, Aaron Kendrick, Glen Junor, Douglas Grotjahn, Guy Bertrand, Rodolphe Jazzar, Keary Engle

Version 1 posted 13 April 2021

862

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Energy

Working Paper

Negligible Voltage Hysteresis with Strong Anionic Redox in Conventional Battery Electrode

Kehua Dai, Jing Mao, Zengqing Zhuo, Guo Ai, Wenfeng Mao, Yan Feng, Feng Pan, Yi-de Chuang, Gao Liu, Wanli Yang

Version 1 posted 31 January 2020

785

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Catalysis

Working Paper

Electrocatalytic Asymmetric Nozaki–Hiyama–Kishi Decarboxylative Coupling: Scope, Applications, and Mechanism

baiyang jiang, Yang Gao, Nathan Friede, Arianne Hunter, Dylan Boucher, Shelley Minteer, Matthew Sigman, Sarah Reisman, phil baran

Version 1 posted 29 November 2023

2,165

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Catalysis

Working Paper

Visible-Light-Driven Alkene Dicarboxylation with Formate and CO2 Under Mild Conditions

Fulin Zhang, Xiao-Yang Wu, Pan-Pan Gao, Hao Zhang, Zhu Li, Shangde Ai, Gang Li

Version 2 posted 03 August 2023

743

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Catalysis

Working Paper

Biocatalytic, Enantioenriched Primary Amination of Tertiary C–H Bonds

Runze Mao, Shilong Gao, Zi-Yang Qin, Torben Rogge, Sophia Wu, Zi-Qi Li, Anuvab Das, Kendall Houk, Frances Arnold

Version 1 posted 13 December 2023

1,604

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Citations

Catalysis

Working Paper

Efficient Access to β-Branched Noncanonical Amino Acids via Transaminase-Catalyzed Dynamic Kinetic Resolutions Driven by a Lysine Amine Donor

Noah Dunham, Ritwika Ray, Claire Eberle, Matthew Winston, Justin Newman, Qi Gao, Yang Cao, Rodell Barrientos, Yining Ji, Mikhail Reibarkh, Steven Silverman

Version 1 posted 08 April 2024

1,014

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Catalysis

Working Paper

Controlled Surface Reconstruction on Ferromagnetic Oxides: Spin Pinning Effect to the Oxyhydroxide Layer and Its Enhanced Oxygen Evolution Activity

Tianze Wu, Xiao Ren, Yuanmiao Sun, Shengnan Sun, Guoyu Xian, Günther G. Scherer, Adrian C. Fisher, Daniel Mandler, Joel Ager, Alexis Grimaud, Junling Wang, Chengmin Sheng, Haitao Yang, Jose Gracia, Hong-jun Gao, Zhichuan J. Xu

Version 1 posted 18 March 2021

720

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Refine Search

62 results in Yang Gao in Authors: Yang Gao

Deep Learning for Variational Multi-Scale Molecular Modeling

Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids

Pd(0)-Catalyzed Directed syn-1,2-Carboboration and -Silylation: Alkene Scope, Applications in Dearomatization, and Stereocontrol via a Chiral Auxiliary

Cyclic(Alkyl)(Amino)Carbene Ligands Enable Cu-Catalyzed Markovnikov Protoboration and Protosilylation of Terminal Alkynes: A Versatile Portal to Functionalized Alkenes

Negligible Voltage Hysteresis with Strong Anionic Redox in Conventional Battery Electrode

Electrocatalytic Asymmetric Nozaki–Hiyama–Kishi Decarboxylative Coupling: Scope, Applications, and Mechanism

Visible-Light-Driven Alkene Dicarboxylation with Formate and CO2 Under Mild Conditions

Biocatalytic, Enantioenriched Primary Amination of Tertiary C–H Bonds

Efficient Access to β-Branched Noncanonical Amino Acids via Transaminase-Catalyzed Dynamic Kinetic Resolutions Driven by a Lysine Amine Donor

Controlled Surface Reconstruction on Ferromagnetic Oxides: Spin Pinning Effect to the Oxyhydroxide Layer and Its Enhanced Oxygen Evolution Activity

62 results in Authors: Yang Gao