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Werner Janse van Rensburg
Werner Janse van Rensburg
Centre for High Performance Computing
Geverifieerd e-mailadres voor csir.co.za
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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
2122004
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
1872004
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
1202005
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
982007
A stable ruthenium catalyst for productive olefin metathesis
GS Forman, AE McConnell, MJ Hanton, AMZ Slawin, RP Tooze, ...
Organometallics 23 (21), 4824-4827, 2004
962004
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
702006
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
672008
(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
632000
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
502010
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
442017
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
412015
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
352003
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
282015
Tyrosinase catalysed biphenyl construction from flavan-3-ol substrates
WJ van Rensburg, D Ferreira, E Malan, JA Steenkamp
Phytochemistry 53 (2), 285-292, 2000
282000
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
262017
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
232006
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
12009
Phosphine modified cobalt hydroformylation
H Van Rensburg, RP Tooze, DF Foster, W Janse van Rensburg
12006
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
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Artikelen 1–20