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Xiaoliang Yan

4 results in Authors: Xiaoliang Yan

Novel Ni/MgO Catalysts from Mesoporous MgCO3 for Highly Efficient CO Methanation: Effects of Al and Si Stabilization

Wenming Hao, Maria Vall, Yufei Shi, Qianqian Wang, Maria Strømme, Xiaoliang Yan, Ocean Cheung, Ruifeng Li

Version 1 posted 10 March 2020

470

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Theoretical and Computational Chemistry

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

284

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Physical Chemistry

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

268

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Physical Chemistry

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

662

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