An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solvents

作者：Zeifman Alexey A; Novikov Fedor N; Stroylov Victor S; Stroganov Oleg V; Svitanko Igor V; Chilov Ghermes G

来源：Dalton Transactions, 2015, 44(40): 17795-17799.

DOI：10.1039/c5dt03126e

We compared explicit and implicit solvation approaches in modeling the free energy profile of the final step of Suzuki–Miyaura coupling.

• 出版日期2015