Article ID Journal Published Year Pages File Type
5386391 Chemical Physics Letters 2010 6 Pages PDF
Abstract
Performance of DFT methods in thermochemistry of olefin metathesis involving the model catalyst (PH3)2(Cl)2Ru=CH2 and in reproduction of experimental PCy3 dissociation energy for the Grubbs catalyst (H2IMes)(PCy3)(Cl)2Ru=CHPh is studied.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Assessment of density functional methods for the study of olefin metathesis catalysed by ruthenium alkylidene complexes
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