1. Enantioselective Arylation of N‐Tosylimines by Phenylboronic Acid Catalysed by a Rhodium/Diene Complex: Reaction Mechanism from Density Functional Theory. Issue 27 (1st June 2015) Authors: Sieffert, Nicolas; Boisson, Julien; Py, Sandrine Journal: Chemistry Issue: Volume 21:Issue 27(2015) Page Start: 9753 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)1. Issue 9 (7th March 2015) Authors: Sieffert, Nicolas; Kendrick, Thomas; Tiana, Davide; Morrison, Carole A. Journal: Dalton transactions Issue: Volume 44:Issue 9(2015) Page Start: 4259 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Modelling uranyl chemistry in liquid ammonia from density functional theory. Issue 74 (30th August 2018) Authors: Sieffert, Nicolas; Thakkar, Amol; Bühl, Michael Journal: Chemical communications Issue: Volume 54:Issue 74(2018) Page Start: 10431 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Molecular motions in a fluxional (η6-indenyl)tricarbonylchromium hemichelate: a density functional theory molecular dynamics study. Issue 27 (26th June 2018) Authors: Sieffert, Nicolas Journal: Dalton transactions Issue: Volume 47:Issue 27(2018) Page Start: 8906 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. On the Catalytic Activity of [RuH2(PPh3)3(CO)] (PPh3=triphenylphosphine) in Ruthenium‐Catalysed Generation of Hydrogen from Alcohols: a Combined Experimental and DFT study. Issue 11 (9th April 2020) Authors: Lorusso, Patrizia; Ahmad, Shahbaz; Brill (née Schmid), Karin; Cole‐Hamilton, David J.; Sieffert, Nicolas; Bühl, Michael Journal: ChemCatChem Issue: Volume 12:Issue 11(2020) Page Start: 2995 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. On the Importance of Decarbonylation as a Side‐Reaction in the Ruthenium‐Catalysed Dehydrogenation of Alcohols: A Combined Experimental and Density Functional Study. Issue 14 (5th March 2014) Authors: Sieffert, Nicolas; Réocreux, Romain; Lorusso, Patrizia; Cole‐Hamilton, David J.; Bühl, Michael Journal: Chemistry Issue: Volume 20:Issue 14(2014) Page Start: 4141 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Trans–cis C–Pd–C rearrangement in hemichelates. Issue 25 (2nd June 2017) Authors: Werlé, Christophe; Dohm, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; Pfeffer, Michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre Journal: Dalton transactions Issue: Volume 46:Issue 25(2017) Page Start: 8125 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Uranyl extraction by N, N-dialkylamide ligands studied using static and dynamic DFT simulations. Issue 6 (20th November 2014) Authors: Sieffert, Nicolas; Wipff, Georges Journal: Dalton transactions Issue: Volume 44:Issue 6(2015) Page Start: 2623 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗