Article ID Journal Published Year Pages File Type
1327530 Journal of Organometallic Chemistry 2006 9 Pages PDF
Abstract
A tool to predict the catalytic activity by interpolation was constructed, correlating a quantum chemical descriptor like absolute hardness with the catalytic activity experimentally measured in turnover numbers for pincer metallic complexes.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
Preview
Predicting the catalytic efficiency by quantum-chemical descriptors: Theoretical study of pincer metallic complexes involved in the catalytic Heck reaction
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