Kristian W. Paul
DuPont (United States)(US)
Publications by Year
Research Areas
Iron oxide chemistry and applications, Mine drainage and remediation techniques, Clay minerals and soil interactions, Arsenic contamination and mitigation, Energetic Materials and Combustion
Most-Cited Works
- → ATR–FTIR and Density Functional Theory Study of the Structures, Energetics, and Vibrational Spectra of Phosphate Adsorbed onto Goethite(2012)195 cited
- → Quantum Chemical Study of Arsenic (III, V) Adsorption on Mn-Oxides: Implications for Arsenic(III) Oxidation(2009)177 cited
- → Surface complex structures modelled with quantum chemical calculations: carbonate, phosphate, sulphate, arsenate and arsenite(2007)126 cited
- → Periodic density functional theory calculations of bulk and the (010) surface of goethite(2008)95 cited
- → Effect of Dehydration on Sulfate Coordination and Speciation at the Fe−(Hydr)oxide−Water Interface: A Molecular Orbital/Density Functional Theory and Fourier Transform Infrared Spectroscopic Investigation(2005)73 cited
- → Quantum chemical study of the Fe(III)-desferrioxamine B siderophore complex—Electronic structure, vibrational frequencies, and equilibrium Fe-isotope fractionation(2008)71 cited
- → Quantum Chemical Calculations of Sulfate Adsorption at the Al- and Fe-(Hydr)oxide-H2O InterfaceEstimation of Gibbs Free Energies(2006)65 cited
- → Characterization and Surface Reactivity of Ferrihydrite Nanoparticles Assembled in Ferritin(2006)63 cited
- → Sulphate adsorption at the Fe (hydr)oxide–H 2 O interface: comparison of cluster and periodic slab DFT predictions(2007)55 cited
- → Mechanistic Aspects of Pyrite Oxidation in an Oxidizing Gaseous Environment: An in Situ HATR−IR Isotope Study(2005)47 cited