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How hexafluoroisopropanol solvent promotes Diels-Alder cycloadditions: <i>ab initio</i> metadynamics simulations

Release time:2024-01-17|Hits:

Affiliation of Author(s):化学与化工学院

Journal:Phys. Chem. Chem. Phys。

First Author:赵霞

Document Code:321FB844B852443698D94C4F142EF0FA

Volume:25

Issue:21

Page Number:14695

Number of Words:2000

Translation or Not:no

Date of Publication:2023-05-31

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Electron-Coupled Proton Transfer Governed Magnetic Spin Couplings and Switching in Defect Nano Silicon Carbide
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Ab Initio Metadynamics Simulations of Hexafluoroisopropanol Solvent Effects: Synergistic Role of Solvent H-Bonding Networks and Solvent-Solute C-H/π Interactions

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