A DFT study toward the mechanism of chromium-catalyzed ethylene trimerization W Janse van Rensburg, C Grové, JP Steynberg, KB Stark, JJ Huyser, ... Organometallics 23 (6), 1207-1222, 2004 | 212 | 2004 |
DFT prediction and experimental observation of substrate-induced catalyst decomposition in ruthenium-catalyzed olefin metathesis W Janse van Rensburg, PJ Steynberg, WH Meyer, MM Kirk, GS Forman Journal of the American Chemical Society 126 (44), 14332-14333, 2004 | 187 | 2004 |
A convenient system for improving the efficiency of first-generation ruthenium olefin metathesis catalysts GS Forman, AE McConnell, RP Tooze, W Janse van Rensburg, ... Organometallics 24 (19), 4528-4542, 2005 | 120 | 2005 |
Role of MAO in chromium-catalyzed ethylene tri-and tetramerization: a dft study W Janse van Rensburg, JA van den Berg, PJ Steynberg Organometallics 26 (4), 1000-1013, 2007 | 98 | 2007 |
A stable ruthenium catalyst for productive olefin metathesis GS Forman, AE McConnell, MJ Hanton, AMZ Slawin, RP Tooze, ... Organometallics 23 (21), 4824-4827, 2004 | 96 | 2004 |
Mechanistic comparison of ruthenium olefin metathesis catalysts: DFT insight into relative reactivity and decomposition behavior WJ van Rensburg, PJ Steynberg, MM Kirk, WH Meyer, GS Forman Journal of organometallic chemistry 691 (24-25), 5312-5325, 2006 | 70 | 2006 |
Bulk and surface analysis of Hägg Fe carbide (Fe5C2): a density functional theory study PJ Steynberg, JA Van den Berg, WJ van Rensburg Journal of Physics: Condensed Matter 20 (6), 064238, 2008 | 67 | 2008 |
(S)-and (R)-Eriodictyol-6-C-ß-D-glucopyranoside, novel keys to the fermentation of rooibos (Aspalathus linearis) C Marais, WJ van Rensburg, D Ferreira, JA Steenkamp Phytochemistry 55 (1), 43-49, 2000 | 64 | 2000 |
Role of Step Sites and Surface Vacancies in the Adsorption and Activation of CO on χ-Fe5C2 Surfaces MA Petersen, JA van den Berg, WJ van Rensburg The Journal of Physical Chemistry C 114 (17), 7863-7879, 2010 | 50 | 2010 |
Computational investigation of the kinetics and mechanism of the initial steps of the Fischer–Tropsch synthesis on cobalt P van Helden, JA van den Berg, MA Petersen, WJ van Rensburg, ... Faraday Discussions 197, 117-151, 2017 | 44 | 2017 |
On the kinetic interpretation of DFT-derived energy profiles: Cu-catalyzed methanol synthesis W Janse van Rensburg, MA Petersen, MS Datt, JA van den Berg, ... Catalysis Letters 145, 559-568, 2015 | 41 | 2015 |
Bicyclic phosphines as ligands for cobalt-catalysed hydroformylation C Crause, L Bennie, L Damoense, CL Dwyer, C Grove, N Grimmer, ... Dalton Transactions, 2036-2042, 2003 | 35 | 2003 |
CO dissociation at vacancy sites on Hägg iron carbide: Direct versus hydrogen-assisted routes investigated with DFT MA Petersen, WJ van Rensburg Topics in Catalysis 58 (10), 665-674, 2015 | 28 | 2015 |
Tyrosinase catalysed biphenyl construction from flavan-3-ol substrates WJ van Rensburg, D Ferreira, E Malan, JA Steenkamp Phytochemistry 53 (2), 285-292, 2000 | 28 | 2000 |
Role of transient Co-subcarbonyls in Ostwald ripening sintering of cobalt supported on γ-alumina surfaces W Janse van Rensburg, P van Helden, DJ Moodley, M Claeys, ... The Journal of Physical Chemistry C 121 (31), 16739-16753, 2017 | 26 | 2017 |
Rotational isomerism of a phoban-derived first-generation Grubbs catalyst CL Dwyer, MM Kirk, WH Meyer, W Janse van Rensburg, GS Forman Organometallics 25 (16), 3806-3812, 2006 | 23 | 2006 |
PHYS 127-Structure-dependence of the mechanism of CO activation on Hagg iron carbide (chi-Fe5C2) surfaces MA Petersen, PJ Steynberg, JA van den Berg, WJ van Rensburg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 237, 2009 | 1 | 2009 |
Phosphine modified cobalt hydroformylation H Van Rensburg, RP Tooze, DF Foster, W Janse van Rensburg | 1 | 2006 |
Influence of defect sites on elementary surface reactions in Fe-based FTS: Insights from DFT M Petersen, WJ van Rensburg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
Hydrogen-assisted CO dissociation on FCC-Co {100}: DFT analysis and microkinetic interpretation JA van den Berg, IM Ciobica, MA Petersen, WJ van Rensburg EuropaCat IX, Catalysis for a Sustainable World: 30th August-4th September …, 2009 | | 2009 |