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Theoretical and Computational Chemistry

Working Paper

TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials

Xiang Gao, Farhad Ramezanghorbani, Olexandr Isayev, Justin Smith, Adrian Roitberg

Version 1 posted 04 May 2020

2,872

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Organometallic Chemistry

Working Paper

Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes

Zhubao Yin, Gao-Xiang Wang, Xuechao Yan, Junnian Wei, Zhenfeng Xi

Version 1 posted 17 September 2024

131

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Organic Chemistry

Working Paper

Organocatalytic Asymmetric α-C-H Functionalization of Alkyl Amines

Tianran Deng, Xiang-Lei Han, Cheng Cheng, Xiangyuan Liu, Yang Yu, Yuhong Gao, Keqiang Wu, Zhenghua Li, Jisheng Luo, Li Deng

Version 1 posted 13 October 2023

1,116

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1

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Materials Science

Working Paper

Stretch, Catalyze, Morph: Harnessing Enzyme-Enabled Mechano-Response in Hydrogels

Lifei Zheng, Kuan Zhang, Yu Zhou, Junsheng Zhang, Qing Liu, Christina Hanenberg, Ahmed Mourran, Xin Wang, Xiang Gao, Yi Cao, Andreas Herrmann

Version 1 posted 19 July 2023

335

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Biological and Medicinal Chemistry

Working Paper

Isothiocyanate Enabled Versatile Cyclizations of Phage Dis-played Peptides for the Discovery of Macrocyclic Binders

Xinxiang Lei, Liwen Bai, Ting Dan, Peng Cheng, Xiaoqin Yang, Hua Xiang, Rong Huang, Qi Wang, Kai Li, JinMing Gao

Version 1 posted 16 October 2024

193

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Materials Science

Working Paper

Intermolecular pi-pi-packing-induced thermally activated delayed fluorescence: a novel pathway toward luminescence efficiency of nearly 100%

Kai Wang, Xiao-Chun Fan, Dandan Zhang, Youichi Tsuchiya, Le Mei, Yi-Zhong Shi, Masaki Tanaka, Zesen Lin, Yi-Ting Lee, Yue Xie, Yuanyuan Pan, Xiang Zhang, Wei Liu, Gao-Le Dai, Jia-Xiong Chen, Bing Wu, Jun Zhong, Jian-Yu Yuan, Cai-Jun Zheng, Jia Yu, Alex K. Y. Jen, Xian-Kai Chen, Chun-Sing Lee, Chihaya Adachi, Xiaohong Zhang

Version 2 posted 02 February 2023

2,439

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2

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Biological and Medicinal Chemistry

Working Paper

Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis

Hua-Qi Wang, Shu-Bin Mou, Wen Xiao, Huan Zhou, Xu-Dong Hou, Su-Jing Wang, Qian Wang, Jiali Gao, Zhiyi Wei, Lijun Liu, Zheng Xiang

Version 2 posted 18 October 2021

632

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Refine Search

7 results in Xiang Gao in Authors: Xiang Gao

TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials

Construction of N−E bonds via Lewis acid-promoted functionalization of chromium-dinitrogen complexes

Organocatalytic Asymmetric α-C-H Functionalization of Alkyl Amines

Stretch, Catalyze, Morph: Harnessing Enzyme-Enabled Mechano-Response in Hydrogels

Isothiocyanate Enabled Versatile Cyclizations of Phage Dis-played Peptides for the Discovery of Macrocyclic Binders

Intermolecular pi-pi-packing-induced thermally activated delayed fluorescence: a novel pathway toward luminescence efficiency of nearly 100%

Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis

7 results in Authors: Xiang Gao