CORDIS Project
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This project develops a new computational tool for simulating molecular dynamics at the quantum level, specifically targeting hydrogen-transfer reactions. The proposed method aims to enhance the understanding of these fundamental chemical processes, which are crucial in various industrial and biological systems.
In this proposal, we develop a cutting-edge computational tool for simulating molecular dynamics at the quantum level that will be applied to understand the dynamics of various chemical phenomena, especially for hydrogen-transfer reactions.Hydrogen-transfer reactions are one of the most basic elementary chemical reactions, and play vital roles in a number of industrially or biologically intriguing systems.
Despite their importance, experimental studies of hydrogen-transfer reactions have faced s…
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