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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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/3/496 |
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