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Author

K. Wakamatsu

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Aug 2026

Prediction of Relative Kinetic Solvent Effects for SN2 Reactions Using COSMO-RS.

Although ionic reactions comprise a major component of industrially relevant reactions, the prediction of their rate coefficients remains a challenge. Furthermore, existing ab initio kinetic modeling methods are primarily suited for gas-phase conformers and can be computationally expensive. In this work, we highlight a...

Jonathan W. Zheng, Sayandeep Biswas, Kariana Moreno Sader et al. · 0 citations

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