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Effects Of Hyperconjugation On The Electronic Structure And Photoreactivity Of Organic Sulfonyl Chlorides. Inorg. Chem. 2009, 48, 1038–44.
An Evaluation Of Exchange-Correlation Functionals For The Calculations Of The Ionization Energies For Atoms And Molecules. Journal of Electron Spectroscopy and Related Phenomena 2009, 171, 18-23.
Influence Of Oxygenation On The Reactivity Of Ruthenium-Thiolato Bonds In Arene Anticancer Complexes: Insights From Xas And Dft. J. Am. Chem. Soc. 2009, 131, 13355–61.
Adsorption And Structure Of Water On Kaolinite Surfaces: Possible Insight Into Lee Nucleation From Grand Canonical Monte Carlo Calculations. Journal of Physical Chemistry A 2008, 112, 10708-10712.
The Hand Of The Filamentous Bacteriophage Helix. European Biophysics Journal with Biophysics Letters 2008, 37, 1077-1082.
N-Heterocyclic Carbene Complexes Of Rh: Reaction With Dioxygen Without Oxidation. J. Am. Chem. Soc. 2008, 130, 3724–5.
X-Ray Magnetic Circular Dichroism Of Pseudomonas Aeruginosa Nickel(Ii) Azurin. J. Am. Chem. Soc. 2004, 126, 5859–66.
{Formation Of Pd2X2(Mu-S)(Mu-Dpm)(2) By Reaction Of Pdx2(Dpm) With H2S In The Presence Of Alumina (X = Halogen. Journal of Molecular Catalysis a-Chemical 1999, 139, 159-169.
Mechanistic Aspects Of The Oxidation Of Phosphines And Related Substrates By Trans-Ru-Vi(Tmp)(O)(2); Tmp Equals Dianion Of 5,10,15,20-Tetramesitylporphyrin. Journal of Molecular Catalysis a-Chemical 1997, 117, 91-102.
Boundary Condition Effects In Simulations Of Water Confined Between Planar Walls. Molecular Physics 1996, 88, 385-398.
Orientational Ordering In Spatially Disordered Dipolar Systems. Physical Review Letters 1995, 75, 2360-2363.