Ying Xue

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 19

Top Venues

Physical chemistry chemical physics : PCCP

Journal of molecular modeling

RSC advances

The journal of physical chemistry. B

Sichuan University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Sichuan University Jul 01 1985

China

professor

Publications

Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Xinrong Yan, Meng Du, Jiwei Li, Ying Xue, Yibo Wu, Hao Zhang, Xin Wang, Dingguo Xu
A theoretical study of the mechanism of cationic polymerization of isobutylene catalysed by EtAlCl 2 / t -BuCl with bis(2-chloroethyl)ether in hexanes. Physical chemistry chemical physics : PCCP (2024)
Jingyi Shen, Yan Zhang, Ying Xue
Theoretical Insights into Enantioselective [3 + 2] Cycloaddition between Cinnamaldehyde and Cyclic N -Sulfonyl Trifluoromethylated Ketimine Catalyzed by N -Heterocyclic Carbene. The journal of physical chemistry. A 126 (20) (2022)
Yao Chen, Yan Zhang, Ying Xue
Computational insight into the mechanism and stereoselectivity of cycloaddition between donor-acceptor spirocyclopropane and aldehyde catalyzed by Brønsted acid TsOH. Organic & biomolecular chemistry 20 (19) (2022)
Yunqing He, Wanli Nie, Ying Xue, Qishan Hu
Mechanistic insight into B(C 6 F 5 ) 3 catalyzed imine reduction with PhSiH 3 under stoichiometric water conditions. RSC advances 11 (34) (2021)
Yan Zhang, Yongsheng Yang, Ying Xue
Elucidating the mechanism and origins of selectivity on catalyst-dependent cyclization reactions to form polycyclic indolines from a theoretical study. RSC advances 11 (34) (2021)
Lian Yang, Xudong Liu, Yan Zhang, Yongsheng Yang, Ying Xue
Influence of water content on the [2σ+2σ+2π] cycloaddition of dimethyl azodicarboxylate with quadricyclane in mixed methanol-water solvents from QM/MM Monte Carlo simulations. Physical chemistry chemical physics : PCCP 23 (36) (2021)
Jianming Zhao, Xudong Liu, Yan Zhang, Ying Xue
Exploring the Effects of Water on the Mechanism of the Catalyst-Free Reaction between Isatin and 3-Methyl-2-pyrazolin-5-one from the Mixed Implicit/Explicit Multiple Types of Water Clusters. The journal of physical chemistry. B 126 (1) (2021)
Junxia Yang, Yan Zhang, Ruyu Zhu, Ying Xue
Insight into the Mechanism and Regioselectivity of Pd(OAc)2-Catalyzed C-O Bond Activation via a β-O Elimination Approach: A Computational Study. The journal of physical chemistry. A 125 (42) (2021)
Wen-Li Yuan, Lei Zhang, Guo-Hong Tao, Shuang-Long Wang, You Wang, Qiu-Hong Zhu, Guo-Hao Zhang, Zhang Zhang, Ying Xue, Song Qin, Ling He, Jean'ne M Shreeve
Designing high-performance hypergolic propellants based on materials genome. Science advances 6 (49) (2020)
Ruyu Zhu, Yan Zhang, Junxia Yang, Yongsheng Yang, Ying Xue
Computational insight into the mechanism and origin of high regioselectivity in the ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides by the DFT. Journal of molecular modeling 26 (9) (2020)
Junxia Yang, Yan Zhang, Yongsheng Yang, Ying Xue
Elucidating the origin of selectivity of [3 + 2]-cycloaddition reactions between thioketone and carbohydrate-derived nitrones by the DFT. Journal of molecular modeling 25 (7) (2019)
Lian Yang, Jianming Zhao, Xin Yang, Ming Chen, Ying Xue
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. RSC advances 9 (9) (2019)
Li Li, Chudong Wei, Hongjie Song, Yongsheng Yang, Ying Xue, Dongyan Deng, Yi Lv
Cataluminescence Coupled with Photoassisted Technology: A Highly Efficient Metal-Free Gas Sensor for Carbon Monoxide. Analytical chemistry 91 (20) (2019)
Yang Jiang, Ying Xue, Yi Zeng
Microsolvated Model for the Kinetics and Thermodynamics of Glycosidic Bond Dissociative Cleavage of Nucleoside D4G. The journal of physical chemistry. B 122 (6) (2018)
Yongsheng Yang, Xin Yang, Yan Zhang, Ying Xue
Computational Mechanism Study on Allylic Oxidation of cis-Internal Alkenes: Insight into the Lewis Acid-Assisted Brønsted Acid (LBA) Catalysis in Heteroene Reactions. The Journal of organic chemistry 83 (21) (2018)
Song Geng, Yun-Yun Liu, Ying Xue
Gas-phase alkyl and N-alkylamino cation affinities of anionic alpha-oxygen nucleophiles (H n XO-; X = N, P, As, O, S, Se, F, Cl, Br; n = 0-2): a theoretical G2(+)M study. Journal of molecular modeling 24 (1) (2017)
Jianming Zhao, Fen He, Fan Zhang, Xin Yang, Zhiyue Tian, Ying Xue
The Role of Water in the Catalyst-Free Aldol Reaction of Water-Insoluble N-Methyl-2,4-thiazolidinedione with N-Methylisatin from QM/MM Monte Carlo Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (15) (2017)

Ying Xue.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Ying Xue