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Inorganic Chemistry

Working Paper

Protein-Bound Calcium Phosphate in Uremic Rat Serum: A Quantitative Study

Hong-Xing Fan, Bao-Di Gou, Yu-Xi Gao, Gang Wu, Shu-Hu Liu, Fan Li, Tian-Lan Zhang

Version 2 posted 05 August 2020

595

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Theoretical and Computational Chemistry

Working Paper

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

Jiawei Peng, Yu Xie, Deping Hu, Zhenggang Lan

Version 1 posted 07 December 2020

237

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Biological and Medicinal Chemistry

Working Paper

A computer simulation-based study on the intervention of active ingredients of Mongolian medicine into the S-protein of SARS-CoV-2-associated variant Omicron

Lidao Bao, Jiuwang Yu, Mr Morigentu, Xuhong Tian, Chenxu Zhai, Jiu Jin, Xiaodong Zhang, Fengchun Wang, Zhaoxin Yang, Jiahui Qin, Mila Na, Wenchen Liu, Yihao Xiao, Rigui Ye, Liang Zhang, Lan Wu

Version 1 posted 21 November 2022

227

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Theoretical and Computational Chemistry

Working Paper

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Deping Hu, Yu Xie, Jiawei Peng, Zhenggang Lan

Version 2 posted 15 April 2021

559

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Catalysis

Working Paper

Manganese-Catalyzed Asymmetric Hydrogenation of Quinolines Enabled by pi–pi Interaction

Chenguang Liu, Mingyang Wang, Shihan Liu, Yujie Wang, Yong Peng, Yu Lan, Qiang Liu

Version 2 posted 06 October 2020

771

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Catalysis

Working Paper

Chemoselective Union of Olefins, Organohalides and Redox-Active Esters Enables Regioselective Alkene Dialkylation

Tao Yang, Yi Jiang, Yixin Luo, Yu Lan, Ming Joo Koh

Version 1 posted 20 October 2020

1,024

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Inorganic Chemistry

Working Paper

Pseudo-Equilibrium Equation of Calcium Phosphate Precipitation from Aqueous Solution

Hong-Xing Fan, Bao-Di Gou, Yu-Xi Gao, Gang Wu, Tian-Lan Zhang

Version 1 posted 22 July 2019

807

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Catalysis

Working Paper

The Sensitivity of Cu for Electrochemical Carbon Dioxide Reduction to Hydrocarbons as Revealed by High Throughput Experiments

Yunchieh Lai, Ryan J. R. Jones, Yu Wang, Lan Zhou, Matthias Richter, John Gregoire

Version 1 posted 15 October 2019

549

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Catalysis

Working Paper

Regio- and Stereoselective 1,2-Oxyhalogenation of Non-Conjugated Alkynes via Directed Nucleopalladation: Catalytic Access to Tetrasubstituted Alkenes

Mingyu Liu, Juntao Sun, Tao Zhang, Yi Ding, Ye-Qiang Han, Raul Martín-Montero, Yu Lan, Bing-Feng Shi, Keary Engle

Version 1 posted 27 June 2022

801

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Theoretical and Computational Chemistry

Working Paper

A Transferrable Range-Separated Force Field for Water: Combining the Power of Both Physically-Motivated Models and Machine Learning Techniques

Lan Yang, Jichen Li, Feiyang Chen, Kuang Yu

Version 2 posted 22 September 2022

400

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15 results in Yu Lan in Authors: Yu Lan

Protein-Bound Calcium Phosphate in Uremic Rat Serum: A Quantitative Study

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

A computer simulation-based study on the intervention of active ingredients of Mongolian medicine into the S-protein of SARS-CoV-2-associated variant Omicron

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Manganese-Catalyzed Asymmetric Hydrogenation of Quinolines Enabled by pi–pi Interaction

Chemoselective Union of Olefins, Organohalides and Redox-Active Esters Enables Regioselective Alkene Dialkylation

Pseudo-Equilibrium Equation of Calcium Phosphate Precipitation from Aqueous Solution

The Sensitivity of Cu for Electrochemical Carbon Dioxide Reduction to Hydrocarbons as Revealed by High Throughput Experiments

Regio- and Stereoselective 1,2-Oxyhalogenation of Non-Conjugated Alkynes via Directed Nucleopalladation: Catalytic Access to Tetrasubstituted Alkenes

A Transferrable Range-Separated Force Field for Water: Combining the Power of Both Physically-Motivated Models and Machine Learning Techniques

15 results in Authors: Yu Lan