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Theoretical and Computational Chemistry

Working Paper

Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation

Jingchun Wang, DaDi Zhang, Rui-Xue Xu, ChiYung Yam, GuanHua Chen, Xiao Zheng

Version 1 posted 17 May 2021

395

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Theoretical and Computational Chemistry

Working Paper

First Principles Reaction Discovery: From the Schrodinger Equation to Experimental Prediction for Methane Pyrolysis

Rui Xu, Jan Meisner, Alexander Chang, Keiran Thompson, Todd Martinez

Version 1 posted 02 March 2023

517

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Polymer Science

Working Paper

Impact of Polymer Rigidity on Thermoresponsive Luminescence and Electron Spin Resonance of Polyester-Tethered Single Radicals

Liman Hou, Hongxue Xu, Xuanyu Zhang, Rui Chen, Zhaoyu Zhang, Mingfeng Wang

Version 1 posted 28 April 2022

155

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Materials Science

Working Paper

All-aqueous Synthesis of Fibrillated Protein Microcapsules for Membrane-bounded Culture of Tumor Spheroids

Yue Wei, Zhixiang Cai, Ting Yang, Shi Yang, Xiuli Xu, Han Yu, Rui Zan, Hongbin Zhang, Zhou Liu, Changkun Liu, Tiantian Kong, Yang Song

Version 1 posted 27 February 2023

233

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1

Citations

Catalysis

Working Paper

Zero-Valent Pd Atoms Anchored on Polyoxometalate for Low Temperature Hydrodeoxygenation

Max J. Huelsey, Geng Sun, Bin Zhang, Yao Xu, Shipeng Ding, Sie Shing Wong, Ying Zheng, Shinya Furukawa, Hiroyuki Asakura, Yongqiang Cheng, Zili Wu, Rui Si, Ding Ma, Philippe Sautet, Ning Yan

Version 1 posted 21 December 2020

732

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2

Citations

Materials Science

Working Paper

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

Jie Xue, Jingyi Xu, Jiajun Ren, Qingxin Liang, Qi Ou, Rui Wang, Zhigang Shuai, JUAN QIAO

Version 1 posted 30 March 2021

634

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2

Citations

Theoretical and Computational Chemistry

Working Paper

A Semilocal Machine-Learning Correction to Density Functional Approximations

Jingchun Wang, Yao Wang, Rui-Xue Xu, GuanHua Chen, Zheng Xiao

Version 2 posted 27 February 2023

313

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Organic Chemistry

Working Paper

Visible Light Promoted Stereoselective C(sp3)-H Glycosylation for the Synthesis of C-Glycoamino Acids and C-Glycopeptides

Rupeng Qi, Chao Wang, Zijian Ma, Hongying Wang, Qiao Chen, Liangyu Liu, Da Pan, Xiaoyu Ren, Rui Wang, Zhaoqing Xu

Version 1 posted 16 February 2022

619

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Catalysis

Working Paper

Metal-Support Interactions and C1 Chemistry: Transforming Pt-CeO2 into a Highly Active and Stable Catalyst for the Conversion of Carbon Dioxide and Methane

Feng Zhang, Ramón A. Gutiérrez, Pablo Lustemberg, Zongyuan Liu, Ning Rui, Tianpin Wu, Pedro J. Ramírez, Wenqian Xu, Hicham Idriss, M. V. Ganduglia-Pirovano, Sanjaya D. Senanayake, José A. Rodriguez

Version 1 posted 23 December 2020

410

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Refine Search

9 results in Rui Xu in Authors: Rui Xu

Improving Density Functional Prediction of Molecular Thermochemical Properties with a Machine-Learning-Corrected Generalized Gradient Approximation

First Principles Reaction Discovery: From the Schrodinger Equation to Experimental Prediction for Methane Pyrolysis

Impact of Polymer Rigidity on Thermoresponsive Luminescence and Electron Spin Resonance of Polyester-Tethered Single Radicals

All-aqueous Synthesis of Fibrillated Protein Microcapsules for Membrane-bounded Culture of Tumor Spheroids

Zero-Valent Pd Atoms Anchored on Polyoxometalate for Low Temperature Hydrodeoxygenation

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

A Semilocal Machine-Learning Correction to Density Functional Approximations

Visible Light Promoted Stereoselective C(sp3)-H Glycosylation for the Synthesis of C-Glycoamino Acids and C-Glycopeptides

Metal-Support Interactions and C1 Chemistry: Transforming Pt-CeO2 into a Highly Active and Stable Catalyst for the Conversion of Carbon Dioxide and Methane

9 results in Authors: Rui Xu