195. Ligand Lone-Pair Influence on Hydrocarbon C-H Activation: A Computational Perspective, D. H. Ess, T. B. Gunnoe, T. R. Cundari, W. A. Goddard III, R. A. Periana, T. J. Meyer, Organometallics, 2010, 29, 24, 6801-6815. DOI: 10.1021/om100974q
196. Catalytic C-H Amination with Unactivated Amines via Copper(II) Amides, S. Wiese, Y. M. Badiei, S. Mossin, R. T. Gephard, M. M. Melzer, M. S. Varonka, K. Meyer, T. R. Cundari, T. H. Warren, Angew. Chem. Int. Ed., 2010, 122, 58, 9034-9039. DOI: 10.1002/ange.201003676
197. First-principle Study of Structure and Stability of Nickel Carbides, Josh S. Gibson, Jamal Uddin, Thomas R. Cundari, Nelli K. Bodiford, and Angela K. Wilson, J. Phys. Condensed Matter, 2010, 22, 445503/1-7. DOI: 10.1088/0953-8984/22/44/445503
198. Structure and Dynamics of the Glycine Triad in Human Glutathione Synthetase, M. E. Anderson, T. R. Cundari, S. Barelier, K. Slavens, T. Brown, A. Dinescu, Biochem. Biophys. Res. Comm., 2010, 400, 511-516. DOI: 10.1016/j.bbrc.2010.08.081
199. Pnictogen-Hydride Activation by (silox)3Ta (silox = tBu3SiO); Attempts to Circumvent the Constraints of Orbital Symmetry in N2 Activation, E. B. Hulley, J. Bonanno, P. Wolczanski, T. Cundari, E. Lobkovsky, Inorg. Chem., 2010, 49, 8524-8544. DOI: 10.1021/ic101147x
200. Three-Coordinate Terminal Imidoiron(III) Complexes: Structure, Spectroscopy, and Mechanism of Formation, R. E. Cowley, N. A. Eckert, N. J. DeYonker, C. Flaschenriem, T. R. Cundari, S. DeBeer George, E. Bill, P. L. Holland, Inorg. Chem., 2010, 49, 6172-6187. DOI: 10.1021/ic100846b
201. Theoretical Studies on the Catalysis of the Reverse Water Gas Shift Reaction Using First-row Transition Metal β-diketiminato Complexes, C. Liu, L. Munjanja, T. R. Cundari, A. K. Wilson, J. Phys. Chem. A, 2010, 114, 6207-6216. DOI: 10.1021/jp911616y
202. Copper-Catalyzed Phosphinidene Transfer to Ethylene, Acetylene and Carbon Monoxide: A Computational Study, M. J. Amme, A. B. Kazi, T. R. Cundari, International Journal of Quantum Chemistry, 2010, 110, 1702-1711. DOI: 10.1002/qua.22297
203. Computational and Experimental Studies of Methyl Group Exchange Between Palladium(II) Centers, M. S. Remy, T. R. Cundari, M. S. Sanford, Organometallics, 2010, 29, 1522-1525. DOI: 10.1021/om901039u
204. Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt, J. R. Webb, A. W. Pierpont, C. Munro-Leighton, T. B. Gunnoe, T. R. Cundari, P. D. Boyle, J. Am. Chem. Soc., 2010, 132, 4520-4521. DOI: 10.1021/ja9102309
205. Modified Embedded Atoms Method (MEAM) Study of the Mechanical Properties of Carbon Nanotube Reinforced Nickel Composites, J. Uddin, T. R. Cundari, A. K. Wilson, S. G. Srinivasan, M. I. Baskes, Phys. Rev. B, 2010, 81, 104103/1-12. DOI: 10.1103/PhysRevB.81.104103
206. Computational Study of Methane C-H Activation with First-Row Late Transition Metal (M: Fe, Co, Ni) LnM=E Catalysts, T. R. Cundari, A. W. Pierpont, Inorg. Chem., 2010, 49, 2038-2046. DOI: 10.1021/ic901250z
207. Determination of the Active Site of Sphingomonas chlorophenolica 2,6-dichloro-p-hydroquinone dioxygenase (PcpA), T. E. Machonkin, P. L. Holland, K. N. Smith, J. S. Liberman, A. Dinescu, T. R. Cundari, S. S. Rocks, J. Biol. Inorg. Chem., 2010, 15, 291-301. DOI: 10.1007/s00775-009-0602-9
208. Towards Greener Carbon Capture Technologies: A Pharmacophore-Based Approach to Predict CO2 Binding Sites in Proteins, M. L. Drummond, T. R. Cundari, A. K. Wilson, Energy & Fuels, 2010, 24, 1464-1470. DOI: 10.1021/ef901132v
209. Periodic and Molecular Modeling Study of Donor-Acceptor Interactions in (dbbpy)Pt(tdt)•(TENF) and [Pt(dbbpy)(tdt)]2•(TENF), B. Chilukuri, Rabaâ, T. R. Cundari, J. M. Hudson, M. A. Omary, C. Minot, Organometallics, 2010, 29, 795-800. DOI: 10.1021/om900676m
210. Palladium-Catalyzed C-H Activation/C-N Bond Formation Reactions: DFT Study of Reaction Mechanisms and Reactive Intermediates, Z. Ke, T. R. Cundari, Organometallics, 2010, 29, 821-834. DOI: 10.1021/om900895t