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Theo De Bruin

Theo De Bruin

IFP Energies nouvelles - Solaize / France
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4424662
IFP New Energies
person_outline Theo De Bruin's MOST POPULAR ARTICLES
1-) Hemilabile ligand induced selectivity: a DFT study on ethylene trimerization catalyzed by titanium complexes Organometallics 22 (17), 3404-3413, 2003
2-) Prediction of the cetane number of diesel compounds using the quantitative structure property relationship Energy & Fuels 24 (10), 5396-5403, 2010
3-) Thermodynamic and transport properties of carbon dioxide from molecular simulation The Journal of chemical physics 126 (6), 2007
4-) New Amines for CO2 Capture. IV. Degradation, Corrosion, and Quantitative Structure Property Relationship Model Industrial & engineering chemistry research 51 (18), 6283-6289, 2012
5-) Theoretical Study of the Regiochemistry-Determining Step of the Pauson− Khand Reaction Journal of the American Chemical Society 123 (29), 7184-7185, 2001