Numbering is chronological. Each number links to an abstract of the publication.

(P)reprints of most of the below articles are available from the Minnesota Supercomputer Institute.

312. Jones, C.; Schulten, C.; Fohlmeister, L.; Stasch, A.; Murray, K. S.; Moubaraki, B.; Kohl, S.; Ertem, M. Z.; Gagliardi, L.; Cramer, C. J. "Bulky Guanidinato Nickel(I) Complexes: Synthesis, Characterization, Isomerization and Reactivity Studies" Chem. Eur. J. 2011, 17, 1294 (doi:10.1002/chem.201002388). (abstract)

313. Marlier, E. E.; Sadowsky, D.; Cramer, C. J.; McNeill, K. "Metal Ion Size and Coordination Mode in Complexes of a β-Diketiminate Ligand with Pendant Quinoline Arms" Inorg. Chim. Acta 2011, 369, 173 (doi:10.1016/j.ica.2010.12.021). (abstract)

314. Skarpeli-Liati, M.; Turgeon, A.; Garr, A. N.; Arnold, W. A.; Cramer, C. J.; Hofstetter, T. B. "pH-Dependent Equilibrium Isotope Fractionation Associated with the Compound Specific Nitrogen and Carbon Isotope Analysis of Substituted Anilines by SPME-GC/IRMS" Anal. Chem. 2011, 83, 1641 (doi:10.1021/ac102667y). (abstract)

315. Smith, E. L.; Sadowsky, D.; Cramer, C. J.; Phillips, J. A. "Structure, Bonding, and Energetic Properties of Nitrile-Borane Complexes: RCN-BH₃" J. Phys. Chem. A 2011, 115, 1955 (doi:10.1021/jp106391c). (abstract)

316. Tabuchi, K.; Sugimoto, H.; Kunishita, A.; Tano, T.; Fujieda, N.; Ertem, M. Z.; Cramer, C. J.; Itoh, S. "Reactions of Copper(II)-Phenol Systems with O₂. Models for TPQ Biosynthesis in Copper Amine Oxidases" Inorg. Chem. 2011, 50, 1633 (doi:10.1021/ic101832c). (abstract)

317. Ribeiro, R. F.; Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. "The Solvation, Partitioning, Hydrogen Bonding, and Dimerization of Nucleotide Bases: A Multifaceted Challenge for Quantum Chemistry" Phys. Chem. Chem. Phys. 2011, 13, 10908 (doi:10.1039/c0cp02784g). (abstract)

318. Vlaisavljevich, B.; Miró, P.; Cramer, C. J.; Gagliardi, L.; Infante, I.; Liddle, S. T. "On the Nature of Actinide- and Lanthanide-Metal Bonds in Heterobimetallic Compounds" Chem. Eur. J. 2011, 17, 8424 (doi:10.1002/chem.201100774). (abstract)

319. Skarpeli-Liati, M.; Jiskra, M.; Turgeon, A.; Garr, A. N.; Arnold, W. A.; Cramer, C. J.; Schwarzenbach, R. P.; Hofstetter, T. B. "Using Nitrogen Isotope Analysis to Investigate the Oxidation of Substituted Aromatic Amines" Environ. Sci. Technol. 2011, 45, 5596 (doi:10.1021/es200743t). (abstract)

320. Marenich, A. V.; Cramer, C. J.; Truhlar, D. G.; Guido, C. A.; Mennucci, B.; Scalmani, G.; Frisch, M. J. "Practical Computation of Electronic Excitation in Solution: Vertical Excitation Model" Chem. Sci. 2011, 2, 2143 (doi:10.1039/c1sc00313e). (abstract)

321. Tano, T.; Ertem, M. Z.; Yamaguchi, S.; Kunishita, A.; Sugimoto, H.; Fujieda, N.; Ogura, T.; Cramer, C. J.; Itoh, S. "Reactivity of Copper(II)-alkylperoxo Complexes" Dalton Trans. 2011, 40, 10326 (doi:10.1039/c1dt10656b). (abstract)

322. Olson, E. J.; Xiong, T. T.; Cramer, C. J.; Bühlmann, P. "Interaction of a Weakly Acidic Dinitroaromatic with Alkylamines: Avoiding the Meisenheimer Trap" J. Am. Chem. Soc. 2011, 133, 12858 (doi:10.1021/ja205156r). (abstract)

323. Huff, G. S.; Doncheva, I. S.; Brinkley, D. W.; Angeles-Boza, A. M.; Mukherjee, A.; Cramer, C. J.; Roth, J. P. "Experimental and Computational Investigations of Oxygen Reactivity in a Heme and Tyrosyl Radical-containing Fatty Acid α-(Di)oxygenase" Biochemistry 2011, 50, 7375 (doi:10.1021/bi201016h). (abstract)

324. Ribeiro, R. F.; Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. "Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation" J. Phys. Chem. B 2011, 115, 14556. (doi:10.1021/jp205508z). (abstract)

325. Planas, N.; Ono, T.; Vaquer, L.; Miró, P.; Gagliardi, L.; Cramer, C. J.; Llobet, A. "Carbon Dioxide Reduction by Mononuclear Ruthenium Polypyridyl Complexes" Phys. Chem. Chem. Phys. 2011, 13, 19480 (doi:10.1039/c1cp22814e). (abstract)

326. Sarangi, R.; Yang, L.; Winikoff, S. G.; Gagliardi, L.; Cramer, C. J.; Tolman, W. B.; Solomon, E. I. "X-ray Absorption Spectroscopic and Computational Investigation of a Possible S-S Interaction in the [Cu₃S₂]³⁺ Core" J. Am. Chem. Soc. 2011, 133, 17180 (doi:10.1021/ja111323m). (abstract)

327. Planas, N.; Vigara, L.; Cady, C.; Miró, P.; Huang, P.; Hammarström, L.; Styring, S.; Leidel, N.; Dau, H.; Haumann, M.; Gagliardi, L.; Cramer, C. J.; Llobet, A. "The Electronic Structure of Oxidized Complexes Derived from cis-[Ru^II(bpy)₂(H₂O)₂]²⁺ and the Mechanism of Its Photoisomerization" Inorg. Chem. 2011, 50, 11134 (doi:10.1021/ic201686c). (abstract)

328. Donoghue, P.; Tehranchi, J.; Cramer, C. J.; Sarangi, R.; Solomon, E. I.; Tolman, W. B. "Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex" J. Am. Chem. Soc. 2011, 133, 17602 (doi:10.1021/ja117882h). (abstract)