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Theoretical and Computational Chemistry

Working Paper

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

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

Version 1 posted 02 August 2021

294

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Chemical Engineering and Industrial Chemistry

Working Paper

Selective depolymerization of polyolefin plastics into olefin monomers on electrified tungsten filament

Shijie Yu, Haoyue Li, Sikai Wang, Ning Yan

Version 1 posted 22 July 2024

37

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Catalysis

Working Paper

Non-Faradaic Promotion of Ethylene Hydrogenation Under Oscillating Potentials

Chia Wei Lim, Max J. Huelsey, Ning Yan

Version 1 posted 03 November 2020

294

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Catalysis

Working Paper

Coverage-Dependent Formic Acid Oxidation Reaction Kinetics Determined by Oscillating Potentials

Max J. Huelsey, Chia Wei Lim, Sie Shing Wong, Ning Yan

Version 1 posted 13 October 2020

583

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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

274

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Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM

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

Version 3 posted 03 February 2021

674

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Catalysis

Working Paper

Demonstrating the electron-proton transfer mechanism of aqueous phase 4-nitrophenol hydrogenation on supported metal catalyst using unbiased electrochemical cells

Ning Yan, Hua An, Geng Sun, Max Hülsey, Philippe Sautet

Version 2 posted 29 June 2022

2,575

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Materials Chemistry

Working Paper

Green and Potent: A Waste-Free and Skin-Compatible CuI Coating on Flexible Substrates with Rapid Antiviral and Antimicrobial Kinetics

Adrielle Xianwen Chen, Huan Yi Lau, Jye Yng Teo, Yanming Wang, Darryl Zhi Yong Choong, He-Kuan Luo, Yi Yan Yang, Ning Li

Version 2 posted 19 December 2022

127

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Theoretical and Computational Chemistry

Review

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering

Zhongyue Yang, Qianzhen Shao, Yaoyukun Jiang, Christopher Jurich, Xinchun Ran, Reecan Juarez, Bailu Yan, Sebastian Stull, Anvita Gollu, Ning Ding

Version 1 posted 08 June 2023

564

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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

758

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2

Citations

Refine Search

16 results in Ning Yan in Authors: Ning Yan

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential

Selective depolymerization of polyolefin plastics into olefin monomers on electrified tungsten filament

Non-Faradaic Promotion of Ethylene Hydrogenation Under Oscillating Potentials

Coverage-Dependent Formic Acid Oxidation Reaction Kinetics Determined by Oscillating Potentials

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

Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM

Demonstrating the electron-proton transfer mechanism of aqueous phase 4-nitrophenol hydrogenation on supported metal catalyst using unbiased electrochemical cells

Green and Potent: A Waste-Free and Skin-Compatible CuI Coating on Flexible Substrates with Rapid Antiviral and Antimicrobial Kinetics

Mutexa: A Computational Ecosystem for Intelligent Protein Engineering

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

16 results in Authors: Ning Yan