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

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<sup>−</sup>(H<sub>2</su...

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Bibliographic Details
Main Authors: Gang Fu, Hongyi Wang, Wenqing Zhen, Xin Zhou, Li Yang, Jiaxu Zhang
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/30/3/496
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