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112. Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study, K. A. Pittard, T. R. Cundari, T. B. Gunnoe, C. S. Day, J. L. Petersen, Organometallics, 2005, 24, 5015-5024. DOI: 10.1021/om0506668

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113. Synthesis of the Five-Coordinate Ruthenium(II) Complexes [(PCP)Ru(CO)(L)][BAr'4] (PCP = 2,6-(CH2PtBu2)2C6H3, BAr'4 = 2,6-(CF3)2C6H3, L = η1-ClCH2Cl, η1-N2, or μ-Cl-Ru(PCP)(CO)): Reactions with Phenyldiazomethane and Phenylacetylene, J. Zhang, K. A. Barakat, T. R. Cundari, T. B. Gunnoe, P. D. Boyle, J. L. Petersen, C. S. Day, Inorg. Chem., 2005, 44, 8379-8390. DOI: 10.1021/ic051074k

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114. Evidence for the Net Addition of Arene C-H Bonds Across a Ru(II)-Hydroxide Bond, Y. Feng, M. Lail, K. A. Barakat, T. R. Cundari, T. B. Gunnoe, J. L. Petersen, J. Am. Chem. Soc., 2005, 127, 14174-14175. DOI: 10.1021/ja054101e

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115. Effect of the Coinage Metal on the Electronic Energy and Electrostatic Potential of Luminescent Trinuclear Pyrazolate Ring Complexes, T. R. Cundari, H. V. Rasika Dias, H. V. Diyabalanage, O. Elbjeirami, M. A. Gonser, T. Grimes, M. A. Omary, M. Rawashdeh-Omary, Inorg. Chem., 2005, 44, 8200-8210. (Cover article) DOI: 10.1021/ic0508730

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116. Electronic Features of [(silox)2Mo=NtBu]2(μ-Hg): 3-Center-4-Electron Bonding Controls Reactivity, While its Frontier Orbitals are Key to Estimating a Dimolybdenum π-Bond Strength, D. C. Rosenfeld, K. Barakat, C. Buda, P. T. Wolczanski, T. R. Cundari, J. Am. Chem. Soc., 2005, 127, 8262-8263. DOI: 10.1021/ja051070e

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117. Monomeric Thallium(I) Complexes of Fluorinated Triazapentadienyl Ligands, H. V. R. Dias, S. Singh, T. R. Cundari, Angew. Chem., 2005, 44, 4907-4910. DOI: 10.1002/anie.200500401

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118. Ground State Prediction of Linkage Isomerism for Transition Metal Complexes using Quantum Mechanics, C. Buda, A. Dinescu, A. B. Kazi, T. R. Cundari, J. Chem. Info. Model., 2005, 45, 965-970. DOI: 10.1021/ci050050t

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119. N-Heterocyclic Carbenes of the Late Transition Metals: A Computational and Structural Database Study, E. Baba, T. R. Cundari, I. Firkin, Inorg. Chim. Acta, 2005, 358, 2867-2875. DOI: 10.1016/j.ica.2004.06.053

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120. De Novo Prediction of the Ground State Structure of Transition Metal Complexes using Semiempirical and Ab Initio Quantum Mechanics. Coordination Isomerism, C. Buda, T. R. Cundari, A. A. Flores, J. Coord. Chem., 2005, 58, 575-585. DOI: 10.1080/00958970500038258

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121. Thermodynamics, Kinetics and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta), K. F. Hirsekorn, A. S. Veige, M. P. Marshak, Y. Koldobskaya, P. T. Wolczanski, T. R. Cundari, E. B. Lobkovsky, J. Am. Chem. Soc., 2005, 127, 4809-4830. DOI: 10.1021/ja046180k

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122. Low Coordinate Chromium Siloxides: the "Box" [(μ-Cl)Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr, O. L. Sydora, P. T. Wolczanski, E. B. Lobkovsky, C. Buda, T. R. Cundari, Inorg. Chem., 2005, 44, 2609-2618. DOI: 10.1021/ic0488334

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123. Density Functional Theory Study of Palladium Catalyzed Aryl-Nitrogen and Aryl-Oxygen Bond Formation, T. R. Cundari, J. Deng, J. Phys. Org. Chem., 2005, 18, 417-425. DOI: 10.1002/poc.889

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124. Conversions of Ru(III) Alkyl Complexes to Ru(II) Complexes Through Ru-Calkyl Bond Homolysis, M. Lail, T. B. Gunnoe, K. A. Barakat, T. R. Cundari, Organometallics, 2005, 24, 1301-1305. DOI: 10.1021/om049145v

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125. Chemical and Photophysical Properties of AuI, AuII, AuIII, and AuI-Dimer Complexes, K. A. Barakat, T. R. Cundari, Chem. Phys., 2005, 311, 3-11. DOI: 10.1016/j.chemphys.2004.10.017

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126. Calculation of the Enthalpies of Formation for Transition Metal Complexes, T. R. Cundari, H. A. Ruiz Leza, T. Grimes, G. A. Steyl, A.Waters, A. K. Wilson, Chem. Phys. Lett, 2005, 401, 58-61. DOI: 10.1016/j.cplett.2004.11.021