This chapter describes a comprehensive computational study on the template-assisted and Pd(OAc)2-catalyzed meta-selective C–H olefination reaction. The reaction mechanism, the active form of catalyst, the potential role of silver salt and the origin of meta-selectivity were investigated in this work. The computational results demonstrated that the conventionally proposed monomeric Pd(OAc)2 mode...

This chapter describes a comprehensive computational study on the template-assisted and Pd(OAc)2-catalyzed meta-selective C–H olefination reaction. The reaction mechanism, the active form of catalyst, the potential role of silver salt and the origin of meta-selectivity were investigated in this work. The computational results demonstrated that the conventionally proposed monomeric Pd(OAc)2 mode...

We have compared over 500 RPLC columns characterized by the hydrophobic subtraction model using the system selectivity cube (SSC). We have shown numerous differences in column selectivity even among columns in the same class (e.g., alkyl-silica, cyano, or embedded polar groups). We also illustrate the utility of our method for selecting alternative columns with different selectivities for probl...