Research Datasets (3)
Research Area
Data for: QM/MM study of the reactivity of zeolite bound methoxy and carbene groups - Nastase SA, Logsdail A, Catlow CRA (2021). Cardiff University. 10.17035/d.2021.0137511663.
Density Functional Theory Modelling of the Zeolite-mediated Tautomerization of Phenol and Catechol - Hernandez-Tamargo CE, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2016.0010313443.
DFT Modeling of the Adsorption of Trimethylphosphine Oxide at the internal and External Surfaces of Zeolite MFI - Hernandez-Tamargo C, Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0009738222.