Enhanced Sampling Simulations on Transition-Metal-Catalyzed Organic Reactions: Zirconocene-Catalyzed Propylene Polymerization and Sharpless Epoxidation-Reference-Cited by-同舟云学术

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Enhanced Sampling Simulations on Transition-Metal-Catalyzed Organic Reactions: Zirconocene-Catalyzed Propylene Polymerization and Sharpless Epoxidation

Published:2023-07-17 Issue: Volume: Page:1-12
ISSN:2096-5745
Container-title:CCS Chemistry
language:en
Short-container-title:CCS Chem

Author:

Han Xu¹²,Sun Tian-Yu²,Yang Yi Isaac²,Zhang Jun³,Qiu Jing⁴,Xiong Zhaoping⁴,Qiao Nan⁴,Wu Yun-Dong¹²,Gao Yi Qin¹²

Affiliation:

1. Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871

2. Shenzhen Bay Laboratory, Shenzhen 518132

3. Changping Laboratory, Beijing 102200

4. Laboratory of Health Intelligence, Huawei Cloud Computing Technologies Co., Ltd., Guizhou 550025

Publisher

Chinese Chemical Society

Subject

General Chemistry

Link

http://www.chinesechemsoc.org/doi/pdf/10.31635/ccschem.023.202302901

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer;The Journal of Physical Chemistry A;2024-05-17

2. A brief review of integrated tempering sampling molecular simulation;Chemical Physics Reviews;2024-02-07

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