A Combined Kinetic-Quantum Mechanical Model for Assessment of Catalytic Cycles: Application to Cross-Coupling and Heck Reactions
Sebastian Kozuch and Sason Shaik
J. Am. Chem. Soc.; 2006; 128, 3355 - 3365
Код: Выделить всё
http://dx.doi.org/10.1021/ja0559146
