227. Reaction of CuI with Dialkylperoxides: CuII-alkoxides, Alkoxy Radicals and C-H Etherification , R. T. Gephart III, C. L. McMullin, N. Sapiezynski, E. S. Jang, M. J. B. Aguila, T. R. Cundari, T. H. Warren J. Am. Chem. Soc., 2012, 134 17350-17353. DOI: 10.1021/ja3053688

228. The Nature of Protein-CO2 Interactions as Elucidated via Molecular Dynamics, M. L. Drummond, A. K. Wilson, and T. R. Cundari, J. Phys. Chem. B, 2012, 11611578-11593. DOI: 10.1021/jp304770h

229. Catalytic Hydroarylation of Olefins Using TpRu(L)(NCMe)Ph (L = 2,6,7-Trioxa-1-phosphabicyclo[2,2,1]heptane): Comparison to TpRu(L')(NCMe)Ph Systems [L' = CO, PMe3, P(pyr)3 or P(OCH2)3CEt)], E. E. Joslin, T. B. Gunnoe, M. Sabat, C. L. McMullin, T. R. Cundari, W. H. Myers, Organometallics, 2012, 31 6851-6860. DOI: 10.1021/om300676e

230. A Biomimetic Pathway for Vanadium-Catalyzed Aerobic Oxidation of Alcohols: Evidence for a Base-Assisted Dehydrogenation Mechanism, B. N. Wigington, S. K Hanson, M. L. Drummond, T. R. Cundari, D. L. Thorn, S. L. Scott, Chem. Eur. J., 2012, 18 14981 - 14988. DOI: chem.201202499

231. Reductive Elimination of Alkylamines from Low-Valent Palladium (II) Alkyl-Amido Complexes, P. S. Hanley, S. L. Marquard, T. R. Cundari, J. F. Hartwig, J. Am. Chem. Soc., 2012, 134 15281-15284. DOI: 10.1021/ja307558x

232. Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes, S. A. Delp, J. Uddin, N. A. Cochrane, T. B. Gunnoe, T. R. Cundari, M. Sabat, ACS Catalysis, 2012, 2 2182-2193. DOI: 10.1021/cs300544w

233. Flavin-catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds, M. J. Pouy, E. M. Milczek, T. B. Gunnoe, T. M. Figg, B. M. Prince, B. M. Otten, T. R. Cundari, J. Am. Chem. Soc., 2012, 134 (31) 12920-12923. DOI: 10.1021/ja3054139

234. Complete Methane-toMethanol Catalytic Cycle: A DFT Study of Oxygen Atom Transfer from N2O to late-row (M = Ni, Cu, Zn) β-diketiminate C-H Activation Catalysts, C. L. McMullin, A. W. Pierpont, T. R. Cundari, Polyhedron, 2012, In Press. (Special Werner Issue). (invited). DOI:10.1016/j.poly.2012.07.019

235. Synthetic Approaches to (smif)2Ti (smif = 1,3-di-(2-pyridyl)-2-azallyl) Reveal Redox Non-Innocence and C-C Bond-Formation, B. A. Frazier, P. T. Wolczanski, I. Keresztes, S. DeBeer, E. B. Lobkovsky, A. W. Pierpont, T. R. Cundari, Inorg. Chem., 2012, 51 8177-8186. DOI:10.1021/ic300590t

236. A Mechanistic Study of Oxy-insertion into Nickel-Carbon Bonds with Nitrous Oxide, T. M. Figg, T. R. Cundari, Inorg. Chem., 2012, 31 (14) 4998-5004. DOI: 10.1021/om300270x

237. The Role of Iron-β-diketiminate Fragments and Potassium Promoters in N2 Fixation, T. M. Figg, P. L. Holland, T. R. Cundari, Inorg. Chem., 2012, 51 (14) 7546-7550. DOI: 10.1021/ic300150u

238. Protein-Based Carbon Capture: Progress and Potential, M. L. Drummond, T. R. Cundari, A. K. Wilson, Greenhouse Gas. Sci. Tech., 2012, in press. (perspective). (invited). DOI: 10.1002/ghg.1287

239. C-H functionalization Reactivity of a Nickel-imide, S. Wiese, J. L. McAfee, D. R. Pahls, C. L. McMullin, T. R. Cundari, T. H. Warren, J. Am. Chem. Soc., 2012, 134 (24) 10114-10121. DOI: 10.1021/ja302149k

240. DFT Modeling of a Methane-to-Methanol Catalytic Cycle via Group 6 Organometallics. The Role of Metal in Determining the Mode of C-H Activation, K. M. Carsch, T. R. Cundari, Comp. Theo. Chem., 2012, 980, 133-137. DOI: 10.1016/j.comptc.2011.11.039

241. Surface interactions of Au(I) cyclo timer with high and low work function electrode metals, B. Chilukuri, T. R. Cundari, Surface Science, 2012, 606, 1100-1107. DOI: 10.1016/j.susc.2012.03.007

242. The Importance of Secondary Structure Interactions in CO2-Protein Binding Patterns, M. L. Drummond, A. K. Wilson, T. R. Cundari, J. Mol. Model., 2012 18, 2527-2541. DOI: 10.1007/s00894-011-1276-0

243. Coordination Chemistry of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes, E. E. Joslin, T. B. Gunnoe, M. Sabat, C. L. McMullin, T. R. Cundari, W. H. Myers, Inorg. Chem., 2012, 51 (8), 4791-4801. DOI: 10.1021/ic300109b

244. Carbon Dioxide Migration Pathways in Proteins, M. L. Drummond, A. K. Wilson, T. R. Cundari, J. Phys. Chem. Lett., 2012, 3,830-833. DOI: 10.1021/jz3001085

245. CO2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis, C. Liu, T. R. Cundari, A. K. Wilson, J. Phys. Chem. C, 2012, 116 (9), 5681-5688. DOI: 10.1021/jp210480c

246. DFT Study of Methane C--H Activation by PtII-N-Heterocyclic Carbene Complexes. The Importance of Having the Ligands in the Right Place at the Right Time, B. P. Prince, T. R. Cundari, Organometallics, 2012, 31, 1042-1048. DOI: 10.1021/om201114d

247. Thermal Conduction Analysis of Layered Functionally Graded Materials, O. A. Olatunji-Ojo, S. K. S. Boetcher, T. R. Cundari, Comp. Mat. Sci., 2012, 54 329-335. DOI: 10.1061/jcommatsci.2011.10.006

248. Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity, T. M. Figg, J. R. Webb, T. B. Gunoe, T. R. Cundari, J. Am. Chem. Soc., 2012, 134 (4), 2332-2339. DOI: 10.1021/ja2102778

249. A Computational Comparison of Ni(II) and Pt(II) Hydrido-tris(pyrazolyl)borate Supported Hydroarylation Catalysis, T. R. Cundari, H. E. Gonzalez, J. Mol. Cat. A, 2012, 353-354, 1-6. DOI: 10.1016/j.molcata.2011.11.007

250. DFT Study of Group 8 Catalysts for the Hydroarylation of Olefins: Influence of Ancillary Ligands and Metal Identity, G. R. Morello, T. R. Cundari, T. B. Gunnoe, J. Organomet. Chem., 2012, 697 (1), 15-22. DOI: 10.1016/j.organchem.2011.09.019