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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

421

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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

794

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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

555

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Materials Science

Working Paper

Combinatorial Screening Yields Discovery of 29 Metal Oxide Photoanodes for Solar Fuel Generation

Lan Zhou, Aniketa Shinde, Dn Guevarra, Matthias Richter, Helge Stein, Yu Wang, Paul Newhouse, John Gregoire

Version 1 posted 23 December 2019

457

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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

254

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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

604

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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

613

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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

816

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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

828

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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

1,063

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15 results in Yu Lan in Authors: Yu Lan

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

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

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

Combinatorial Screening Yields Discovery of 29 Metal Oxide Photoanodes for Solar Fuel Generation

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

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

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

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

Pseudo-Equilibrium Equation of Calcium Phosphate Precipitation from Aqueous Solution

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

15 results in Authors: Yu Lan