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Jurberg, I. D.; Peng, B.; Wöstefeld, E.; Wasserloos, M.; Maulide, N.: C-H-Funktionalisierung durch eine intramolekulare Redox-Strategie. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker 124 (8), S. 1986 - 1989 (2012)

Huang, X.; Klimczyk, S.; Maulide, N.: Charge-Accelerated Sulfonium [3,3]-Sigmatropic Rearrangements. Synthesis-Stuttgart 44 (2), S. 175 - 183 (2012)

Palkovits, R.; Rose, M.: Isosorbide as a Renewable Platform chemical for Versatile ApplicationsuQuo Vadis? CHEMSUSCHEM 5 (1), S. 167 - 176 (2012)

Cao, J.; Bjornsson, R.; Bühl, M.; Thiel, W.; van Mourik, T.: Modelling Zwitterions in Solution: 3-Fluoro-y-aminobutyric Acid (3F-GABA). Chemistry-a European Journal 18, S. 184 - 195 (2012)

Jones, K. M.; Karier, P.; Klussmann, M.: C1-Substituted N-Alkyl Tetrahydroisoquinoline Derivatives through V-Catalyzed Oxidative Coupling. ChemCatChem 4 (1), S. 51 - 54 (2012)

Jones, K. M.; Klussmann, M.: Oxidative Coupling of Tertiary Amines: Scope, Mechanism and Challenges. Synlett 23 (2), S. 159 - 162 (2012)

Roemelt, M.; Beckwith, M. A.; Duboc, C.; Collomb, M.-N.; Neese, F.; DeBeer, S.: Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds. Inorganic Chemistry 51 (1), S. 680 - 687 (2012)

Ai, Y.-J.; Fang, W.-H.; Liao, R.-Z.; Luo, Y.: Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore. Physical Chemistry Chemical Physics 14 (38), S. 13409 - 13414 (2012)

Andresen, C.; Helander, S.; Lemark, A.; Farès, C.; Csizmok, V.; Carlsson, J.; Penn, L.-Z.; Forman-Kay, J. D.; Arrowsmith, C. H.; Lundström, P. et al.; Sunnerhagen, M.: Transient structure and dynamics in the disordered c-Myc transactivation domain affect Bin1 binding. Nucleic Acids Research 40 (13), S. 6353 - 6366 (2012)

Barbatti, M.; Lan, Z.; Crespo Otero, R.; Szymczak, J.; Lischka, H.; Thiel, W.: Critical Appraisal of Excited-State Nonadiabatic Dynamics Simulations of 9H-Adenine. The Journal of Chemical Physics 137 (22), 22A503, S. 1 - 14 (2012)

Barbatti, M. C.; Nascimento, M. A. C.: Does the H⁺₅ hydrogen cluster exist in dense interstellar clouds? International Journal of Quantum Chemistry 112 (19), S. 3169 - 3173 (2012)

Boulanger, E.; Thiel, W.: Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable Model. Journal of Chemical Theory and Computation 8 (11), S. 4527 - 4538 (2012)

Cowley, R. E.; Christian, G. J.; Brennessel, W. W.; Neese, F.; Holland, P. L.: A Reduced (β‐Diketiminato)iron Complex with End‐On and Side‐On Nitriles: Strong Backbonding or Ligand Non‐Innocence? European Journal of Inorganic Chemistry 2012 (3), S. 479 - 483 (2012)

Crespo-Otero, R.; Barbatti, M. C.: Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran. Theoretical Chemistry Accounts 131 (6), 1237, S. 1237 (2012)

Cui, G.; Thiel, W.: Nonadiabatic Dynamics of a Truncated Indigo Model. Physical Chemistry Chemical Physics 14 (35), S. 12378 - 12384 (2012)

Gámez Martinez, J. A.; Weingart, O.; Koslowski, A.; Thiel, W.: Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization. Journal of Chemical Theory and Computation 8 (7), S. 2352 - 2358 (2012)

Götze, J.; Greco, C.; Mitrić, R.; Bonačić-Koutecky, V.; Saalfrank, P.: BLUF hydrogen network dynamics and UV/vis spectra: A combined molecular dynamics and quantum chemical study. Journal of Computational Chemistry 33 (28), S. 2233 - 2242 (2012)

Götze, J. P.; Saalfrank, P.: Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO. Journal of Molecular Modeling 18 (5), S. 1877 - 1883 (2012)

Gu, X.; Tao, H.; Schmidt, W.; Lu, G.; Wang, Y.: One-pot synthesis of polyhedron-like hollow aluminosilicate with mesoporous shells. Journal of Materials Chemistry A 22 (6), S. 2473 - 2477 (2012)