CORDIS Project
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This project focuses on improving olefin metathesis reactions by using advanced computational techniques to design more effective catalysts. By employing dynamic simulations, it aims to clarify reaction pathways, ultimately simplifying molecular synthesis and reducing waste in chemical processes, particularly in pharma…
The computational calculations nowadays do not act as a support element for supporting experimental results.
Now we have taken more ambitious roles, going forward and saving time and money to the experimental sector.
Thus we will tackle existing unexplained effects in olefin metathesis, including no stability, no or low activity, deactivation of the catalysts.
By means of DFT, the design of more active catalysts will render the method of wider use as a tool for molecular assembly, rendering synt…
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