Computational chemistry
Cardiff Research Areas » Natural Environment » Tools technologies and methods » Tools for the biosciences
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- 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. Zeolites Catalyst Characterisation Catalyst Surface Reactivity Computational chemistry
- 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. Zeolites Catalyst Characterisation Heterogeneous Catalysis Materials Sciences Computational chemistry
