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.

• Tác giả: Gang Fu, Hongyi Wang, Li Yang, Jiaxu Zhang, Wenqing Zhen, Xin Zhou
• Ngôn ngữ: eng
• Ký hiệu phân loại: 972.8202 *Central America
• Thông tin xuất bản: Switzerland : Molecules (Basel, Switzerland) , 2025
• Bộ sưu tập: NCBI
• ID: 78471

Tóm tắt

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