Kristian W. Paul, Ph.D.

2007 Department of Plant and Soil Science University of Delaware, Newark, DE, United States 
Soil Science Agriculture
"Kristian Paul"
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Donald Lewis Sparks grad student 2007 University of Delaware
 (Molecular modeling study of sulfate and phosphate adsorption at the mineral -water interface.)
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Kubicki JD, Paul KW, Kabalan L, et al. (2012) ATR-FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 14573-87
Zhu M, Paul KW, Kubicki JD, et al. (2009) Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: implications for arsenic(III) oxidation. Environmental Science & Technology. 43: 6655-61
Domagal-Goldman SD, Paul KW, Sparks DL, et al. (2009) Quantum chemical study of the Fe(III)-desferrioxamine B siderophore complex-Electronic structure, vibrational frequencies, and equilibrium Fe-isotope fractionation Geochimica Et Cosmochimica Acta. 73: 1-12
Kubicki JD, Paul KW, Sparks DL. (2008) Periodic density functional theory calculations of bulk and the (010) surface of goethite. Geochemical Transactions. 9: 4
Paul KW, Kubicki JD, Sparks DL. (2007) Sulphate adsorption at the Fe (hydr)oxide-H2O interface: Comparison of cluster and periodic slab DFT predictions European Journal of Soil Science. 58: 978-988
Kubicki JD, Kwon KD, Paul KW, et al. (2007) Surface complex structures modelled with quantum chemical calculations: Carbonate, phosphate, sulphate, arsenate and arsenite European Journal of Soil Science. 58: 932-944
Paul KW, Kubick JD, Sparks DL. (2006) Quantum chemical calculations of sulfate adsorption at the Al- and Fe-(hydr)oxide-H20 interface-estimation of gibbs free energies. Environmental Science & Technology. 40: 7717-24
Liu G, Debnath S, Paul KW, et al. (2006) Characterization and surface reactivity of ferrihydrite nanoparticles assembled in ferritin. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 9313-21
Paul KW, Borda MJ, Kubicki JD, et al. (2005) 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. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 11071-8
Usher CR, Paul KW, Narayansamy J, et al. (2005) Mechanistic aspects of pyrite oxidation in an oxidizing gaseous environment: an in situ HATR-IR isotope study. Environmental Science & Technology. 39: 7576-84
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