Wenqing Zhen
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Explore the profile of Wenqing Zhen including associated specialties, affiliations and a list of published articles.
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Articles
9
Citations
7
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Recent Articles
1.
Fu G, Wang H, Zhen W, Zhou X, Yang L, Zhang J
Molecules
. 2025 Feb;
30(3).
PMID: 39942607
Solvents play a crucial role in ion-molecule reactions and have been used to control the outcome effectively. However, little is known about how solvent molecules affect atomic-level mechanisms. Therefore, we...
2.
Yang L, Zhao S, Wang H, Fu G, Zhen W, Bai X, et al.
J Chem Phys
. 2025 Jan;
162(2.
PMID: 39783979
E2 elimination and SN2 substitution reactions are of central importance in preparative organic synthesis due to their stereospecificity. Herein, atomistic dynamics of a prototype reaction of ethyl chloride with hydroxide...
3.
Fu G, Zhen W, Wang H, Zhou X, Yang L, Zhang J
Molecules
. 2024 Nov;
29(22).
PMID: 39598728
Graphitic phase carbon nitride (g-CN, abbreviated as CN) can be used as a photocatalyst to reduce the concentration of atmospheric carbon dioxide. However, there is still potential for improvement in...
4.
Fu G, Zhen W, Wang H, Yang L, Zhang J
J Phys Chem A
. 2024 Nov;
128(50):10746-10757.
PMID: 39579130
Precise prediction of reactivity and accurately identifying the types of reaction complexes are prerequisites for delineating the microscopic mechanisms of ion-molecule reactions, which remain unclear for reactions involving α-nucleophilic reagents....
5.
Wang H, Liu X, Zhao S, Fu G, Zhen W, Yang L, et al.
Precis Chem
. 2024 Oct;
2(1):40-48.
PMID: 39474569
The prototypical E2 elimination and S2 substitution reactions between microsolvated fluoride and ethyl bromide show unexpected dynamic behaviors in mechanistic evolution driven by solvation and collision activation. Considering the steric...
6.
Zhao S, Fu G, Zhen W, Wang H, Yang L, Zhang J
Phys Chem Chem Phys
. 2023 Oct;
25(41):28086-28093.
PMID: 37817676
The competition between E2 and S2 reactions is essential in organic chemistry. In this paper, the reaction mechanism of F + CHCHCl is investigated utilizing direct dynamics simulations, and unravel...
7.
Zhen W, Zhao S, Fu G, Wang H, Sun J, Yang L, et al.
Molecules
. 2023 Sep;
28(17).
PMID: 37687098
The competition between base-induced elimination (E2) and bimolecular nucleophilic substitution (S2) is of significant importance in organic chemistry and is influenced by many factors. The electronic structure calculations for the...
8.
Zhao S, Fu G, Zhen W, Wang H, Liu M, Yang L, et al.
J Phys Chem A
. 2023 Apr;
127(15):3381-3389.
PMID: 37039624
The effect of nucleophiles on the gas-phase E2/S2 competition is still not completely elucidated, despite its importance in chemistry. In the current work, the electronic structure calculations of prototypical reactions...
9.
Xu D, Fu G, Li Z, Zhen W, Wang H, Liu M, et al.
Molecules
. 2023 Jan;
28(2).
PMID: 36677796
Defect engineering and heteroatom doping can significantly enhance the activity of zinc-aluminum layered double hydroxides (ZnAl-LDHs) in photocatalytic CO reduction to fuel. However, the in-depth understanding of the associated intrinsic...
10.
Zhao S, Fu G, Zhen W, Yang L, Sun J, Zhang J
Phys Chem Chem Phys
. 2022 Sep;
24(39):24146-24154.
PMID: 36168813
Direct dynamic simulations have been employed to investigate the OH + CHCl reaction with the chosen B3LYP/aug-cc-pVDZ method. The calculated rate coefficient for the bimolecular nucleophilic substitution reaction (S2), 1.0...