Radiochemistry, Theoretical & Computational Chemistry

On The Electronic Structure of Molecular UO2 in the Presence of Ar Atoms: Evidence for Direct U-Ar Bonding. J. Li, B.E. Bursten, L. Andrews, and C.J. Marsden, J. Am. Chem. Soc. 126, 3424 (2004).

Robust Bonds between Uranium and Noble Gas Atoms: Coordination of the UO2+ Cation by Ne, Ar, Kr, and Xe Atoms. W. Wang, L. Andrews, J. Li, and B. E. Bursten, Angew. Chem. Int. Ed. 43, 2554 (2004).

Theoretical Studies of 18-Electron M(CnHn)(C10-nH10-n) (M = Fe, Ru, Os; n = 3, 4, 5) Sandwich Complexes. C.M. Brett and B.E. Bursten, Polyhedron 23, 2993 (2004).

Reactions of Laser-Ablated Uranium Atoms with H2O in Excess Argon: A Matrix Infrared and Relativistic DFT Investigation of Novel Uranium Oxyhydrides. B. Liang, R.D. Hunt, G.P. Kushko, L. Andrews, J. Li, and B.E. Bursten, Inorg. Chem. 44, 2159 (2005).

Theoretical Investigations of Uranyl Ligand Bonding: Four- and Five-Coordinate Uranyl Cyanide, Isocyanide, Carbonyl, and Hydroxide Complexes. J.L. Sonnenberg, P.J. Hay, R.L. Martin, and B.E. Bursten, Inorg. Chem. 44, 2255 (2005).

Oxalate Bridged Dinuclear M2 Units: Dimers of Dimers, Cyclotetramers (Squares), and Extended Sheets (M = Mo, W, Tc, Ru, and Rh). B.E. Bursten, M.H. Chisholm, and J.S. D'Acchioli, Inorg. Chem. 44, 5571 (2005).

Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra. H.P. Hratchian, J.L. Sonnenberg, P.J. Hay, R.L. Martin, B.E. Bursten, and H.B. Schlegel, J. Phys. Chem. A 109, 8579 (2005).