Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels–Alder Reaction

Author:

Han Xu1ORCID,Zhang Jun2ORCID,Yang Yi Isaac3ORCID,Zhang Zhen4,Yang Lijiang1,Gao Yi Qin13ORCID

Affiliation:

1. Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

2. Changping Laboratory, Beijing 102206, China

3. Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen, Guangdong 518132, China

4. School of Physics and Technology, Tangshan Normal University, Tangshan 063000, China

Funder

Ministry of Science and Technology of the People's Republic of China

Department of Education of Hebei Province

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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