Ying Xue

18PUBLICATIONS
15CO-AUTHORS
Computational chemistryPolymerisation mechanismsOrganometallic chemistryCatalysis and mechanisms of reactionsBiomolecular modelling and design
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Publications (18)

|Feb 04, 2025
Computational insights into asymmetric cross-aldol carboligation in choline chloride/ethylene glycol deep eutectic solvents.

Yan Zhang, Yong Sheng Yang, Shi Jia Zhao

|Feb 07, 2024
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl<sub>2</sub>/<i>t</i>-BuCl with bis(2-chloroethyl)ether in hexanes.

Xinrong Yan, Meng Du, Jiwei Li

|May 13, 2022
Theoretical Insights into Enantioselective [3 + 2] Cycloaddition between Cinnamaldehyde and Cyclic <i>N</i>-Sulfonyl Trifluoromethylated Ketimine Catalyzed by <i>N</i>-Heterocyclic Carbene.

Jingyi Shen, Yan Zhang, Ying Xue

|May 06, 2022
Effects of solvents on the DACBO-catalyzed vinylogous Henry reaction of isatin with 3,5-dimethyl-4-nitroisoxazole "on-water" and in solution from QM/MM MC simulations.

Lian Yang, Jianming Zhao, Xin Yang

|May 04, 2022
Computational insight into the mechanism and stereoselectivity of cycloaddition between donor-acceptor spirocyclopropane and aldehyde catalyzed by Brønsted acid TsOH.

Yao Chen, Yan Zhang, Ying Xue

|Apr 28, 2022
Elucidating the mechanism and origins of selectivity on catalyst-dependent cyclization reactions to form polycyclic indolines from a theoretical study.

Yan Zhang, Yongsheng Yang, Ying Xue

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Frequent Collaborators

1 joint publications

Yi Zeng

1 joint publications

Hongjie Song

1 joint publications

Yi Lv

1 joint publications

Wen-Li Yuan