ArticleMolecules (Basel, Switzerland)2025
How Microsolvation Affects the Balance of Atomic Level Mechanism in Substitution and Elimination Reactions: Insights into the Role of Solvent Molecules in Inducing Mechanistic Transitions.
Gang Fu, Hongyi Wang, Wenqing Zhen, Xin Zhou, Li Yang, Jiaxu Zhang
Abstract read
In one paragraphArticle in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 · Who and what moneyAuthors and funding
6 authors.
Gang FuMIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150001, China.ORCID 0000-0001-7543-6595 Hongyi WangMIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150001, China.
Wenqing ZhenMIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150001, China.
Xin ZhouMIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150001, China.ORCID 0000-0002-9238-953X Li YangKey Laboratory of Chemistry and Chemical Engineering on Heavy-Carbon Resources, School of Chemistry and Chemical Engineering, Yili Normal University, Yining 835000, China.ORCID 0000-0002-0143-3524 Jiaxu ZhangMIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150001, China.ORCID 0000-0002-3125-7824 Funding
Research Foundation for Advanced Talents of Yili Normal University No. 2024RCYJ15The Third Batch of Tianchi Innovation Leading Talent Fund of Xinjiang Autonomous Region No. 2025CXLJ001
6 · The paper itselfAbstract
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 executed direct dynamics simulations of the HO
Indexed as
atomic level mechanismdirect dynamics simulationmicrosolvation effectSN2/E2 reaction
Identifiers
PMID39942607
PMCPMC11819716
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