1. Analyzing the local basis set superposition error for CO adsorbed on rutile(110). Issue 2 (6th August 2020) Authors: Dononelli, Wilke; Klüner, Thorsten Journal: International journal of quantum chemistry Issue: Volume 121:Issue 2(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Application of new nanoparticle structures as catalysts: general discussion. (9th August 2018) Authors: Baletto, Francesca; Boeije, Maurits; Bordet, Alexis; Brinkert, Katharina; Catlow, Richard; Davies, Josh; Dononelli, Wilke; Freund, Hans-Joachim; Friend, Cynthia; Gates, Bruce; Genest, Alexander; Guan, Shaoliang; Hardacre, Christopher; Hargreaves, Justin; Huang, Haoliang; Hutchings, Graham; Johnst... Journal: Faraday discussions Issue: Volume 208(2018) Page Start: 575 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A Machine‐Learning‐Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory (Adv. Mater. 13/2023). Issue 13 (29th March 2023) Authors: Kløve, Magnus; Sommer, Sanna; Iversen, Bo B.; Hammer, Bjørk; Dononelli, Wilke Journal: Advanced materials Issue: Volume 35:Issue 13(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A Machine‐Learning‐Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory. Issue 13 (12th February 2023) Authors: Kløve, Magnus; Sommer, Sanna; Iversen, Bo B.; Hammer, Bjørk; Dononelli, Wilke Journal: Advanced materials Issue: Volume 35:Issue 13(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Bridging model and real catalysts: general discussion. (21st June 2016) Authors: Campbell, Charles; Bowker, Michael; Stamatakis, Michail; Hutchings, Graham; Davies, Philip; Earley, James; Howard, Mark; Garrett, Bruce; Oloye, Femi; Gross, Elad; Kotarba, Andrzej; Landau, Miron V.; Panas, Itai; Anderson, James; Weckhuysen, Bert; Dononelli, Wilke; Iqbal, Sarwat; Temel, Burcin; No... Journal: Faraday discussions Issue: Volume 188(2016) Page Start: 565 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. CO adsorption and oxygen activation on group 11 nanoparticles – a combined DFT and high level CCSD(T) study about size effects and activation processes. (25th May 2018) Authors: Dononelli, Wilke; Klüner, Thorsten Journal: Faraday discussions Issue: Volume 208(2018) Page Start: 105 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. The challenges of characterising nanoparticulate catalysts: general discussion. (10th August 2018) Authors: Arrigo, Rosa; Badmus, Kassim; Baletto, Francesca; Boeije, Maurits; Bowker, Michael; Brinkert, Katharina; Bugaev, Aram; Bukhtiyarov, Valerii; Carosso, Michele; Catlow, Richard; Chanerika, Revana; Davies, Philip R.; Dononelli, Wilke; Freund, Hans-Joachim; Friend, Cynthia; Gallarati, Simone; Gates, ... Journal: Faraday discussions Issue: Volume 208(2018) Page Start: 339 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. The mechanism of Mg2+ conduction in ammine magnesium borohydride promoted by a neutral molecule. Issue 17 (31st March 2020) Authors: Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R. Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 17(2020) Page Start: 9204 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Theory as a driving force to understand reactions on nanoparticles: general discussion. (10th August 2018) Authors: Arrigo, Rosa; Badmus, Kassim; Baletto, Francesca; Boeije, Maurits; Brinkert, Katharina; Bugaev, Aram; Bukhtiyarov, Valerii; Carosso, Michele; Catlow, Richard; Chutia, Arunabhiram; Davies, Philip; de Leeuw, Nora; Dononelli, Wilke; Freund, Hans-Joachim; Friend, Cynthia; Gates, Bruce; Genest, Alexan... Journal: Faraday discussions Issue: Volume 208(2018) Page Start: 147 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗