Theodorus de Bruin

Hemilabile Ligand Induced Selectivity:  a DFT Study on Ethylene Trimerization Catalyzed by Titanium Complexes

Theodorus de Bruin, Lionel Magna, Pascal Raybaud et al. · Organometallics · 2003 · 109 citations

Inorganic Chemistry, Chemical Engineering, Novel Organocatalysts +15

Thermodynamic and transport properties of carbon dioxide from molecular simulation

Carlos Nieto‐Draghi, Theodorus de Bruin, Javier Pérez‐Pellitero et al. · The Journal of Chemical Physics · 2007 · 99 citations

Carbon Dioxide, Engineering, Experimental Thermodynamics +19

New Amines for CO₂ Capture. IV. Degradation, Corrosion, and Quantitative Structure Property Relationship Model

Sandrine Martin, Hélène Lepaumier, Dominique Picq et al. · Industrial & Engineering Chemistry Research · 2012 · 94 citations

Corrosion Technology, Benchmark Molecule, Chemical Engineering +13

Prediction of the Cetane Number of Diesel Compounds Using the Quantitative Structure Property Relationship

Benoît Creton, Cyril Dartiguelongue, Theodorus de Bruin et al. · Energy & Fuels · 2010 · 82 citations

Engineering, Cetane Number, Chemical Analysis +15

Theoretical Unraveling of Selective 1-Butene Oligomerization Catalyzed by Iron−Bis(arylimino)pyridine

Roman Raucoules, Theodorus de Bruin, Pascal Raybaud et al. · Organometallics · 2009 · 75 citations

Inorganic Chemistry, Chemical Engineering, Engineering +8