Predicting the catalytic efficiency by quantum-chemical descriptors: Theoretical study of pincer metallic complexes involved in the catalytic Heck reaction.
Tabares-Mendoza, C. Guadarrama, P.
Predicting the catalytic efficiency by quantum-chemical descriptors: Theoretical study of pincer metallic complexes involved in the catalytic Heck reaction. - 2006. - Vol. 691, no. 13, pp. 2978-2986. = Journal of Organometallic Chemistry
Pincer metallic complexes
Quantum chemical descriptors
Turnover numbers
Absolute hardness
Heck reaction
DFT
Predicting the catalytic efficiency by quantum-chemical descriptors: Theoretical study of pincer metallic complexes involved in the catalytic Heck reaction. - 2006. - Vol. 691, no. 13, pp. 2978-2986. = Journal of Organometallic Chemistry
Pincer metallic complexes
Quantum chemical descriptors
Turnover numbers
Absolute hardness
Heck reaction
DFT