Publication date | Communities | Collections | Article title | Author(s) | Journal/Conference |
---|---|---|---|---|---|
7 May 2021 | SERC | Institute of High Performance Computing | How TeO Defects in the MoVNbTeO Catalyst Material affect the V4+ Distribution. A Computational Study | Juan Manuel Arce-Ramos, Alexander Genest, Notker Rösch | The Journal of Physical Chemistry C |
23 Oct 2014 | SERC | Institute of Chemical and Engineering Sciences | Hydrodeoxygenation of guaiacol over Ru(0001) : a DFT study | Cheng-chau Chiu, Alexander Genest, Armando Borgna, Notker Rösch | ACS Catalysis |
18 Feb 2014 | SERC | Institute of Chemical and Engineering Sciences | Predicting adsorption enthalpies on silicalite and HZSM-5 : a benchmark study on DFT strategies addressing dispersion interactions | Cheng-chau Chiu, Georgi N. Vayssilov, Alexander Genest, Armando Borgna, Notker Rösch | Journal of Computational Chemistry |