A joint paper published by the IQCC and REPSOL

In November 2012, the IQCC and REPSOL signed an agreement to develop a joined collaboration project entitled “Studies on the application of computational chemistry to catalysis” with the aim to analyze complex catalyzed reaction mechanisms through the use of computational chemistry tools (see previous entry). Now the results of this study have been reported in a paper entitled “Mechanism of the Hydrolysis of Propylene Oxide to 1,2-Propanediol over ZSM-5 Zeolite“, published in the Journal of Physical Chemistry C. This publication nicely shows that technology transfer can also generate research publications.


The molecular structure of the zeolite interacting with the propylene oxide



Source: Institut de Química Computacional i Catàlisi (IQCC)

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