Hagmeier, D.; Ruesing, J.; Fenske, T.; Klein, H.-W.; Schmuck, C.; Schrader, W.; Minas da Piedade, M. E.; Epple, M. Direct experimental observation of the aggregation of α-amino acids into 100–200 nm clusters in aqueous solution. RSC Advances 2012, 2, 4690–4696.

Bykov, D.; Neese, F. Reductive activation of the heme iron–nitrosyl intermediate in the reaction mechanism of cytochrome c nitrite reductase: a theoretical study. Journal of Biological Inorganic Chemistry 2012, 17, 741–760.

Cui, G.; Lu, Y.; Thiel, W. Electronic Excitation Energies, Three-State Intersections, and Photodissociation Mechanisms of Benzaldehyde and Acetophenone. Chemical Physics Letters 2012, 537, 21–26.

Deiana, L.; Zhao, G.-L.; Leijonmarck, H.; Sun, J.; Lehmann, C. W.; Córdova, A. Direct Catalytic Asymmetric Synthesis of Pyrazolidine Derivatives. ChemistryOpen 2012, 1, 134–139.

Markewitz, P.; Kuckshinrichs, W.; Leitner, W.; Linssen, J.; Zapp, P.; Bongartz, R.; Schreiber, A.; Müller, T. E. Worldwide innovations in the development of carbon capture technologies and the utilization of CO₂. Energy & Environmental Science 2012, 5, 7281–7305.

Spallek, M. J.; Stockinger, S.; Goddard, R.; Trapp, O. Modular Palladium Bipyrazoles for the Isomerization of Allylbenzenes - Mechanistic Considerations and Insights into Catalyst Design and Activity, Role of Solvent, and Additive Effects. Advanced Synthesis & Catalysis 2012, 354, 1466–1480.

Westphal, A.; Broda, H.; Kurz, P.; Neese, F.; Tuczek, F. Magnetic Circular Dichroism Spectrum of the Molybdenum(V) Complex [Mo(O)Cl₃dppe]: C-Term Signs and Intensities for Multideterminant Excited Doublet States. Inorganic Chemistry 2012, 51, 5748–5763.

Ye, S.; Riplinger, C.; Hansen, A.; Krebs, C.; Bollinger Jr., J. M.; Neese, F. Electronic Structure Analysis of the Oxygen‐Activation Mechanism by Fe^II‐ and α‐Ketoglutarate (αKG)‐Dependent Dioxygenases. Chemistry – A European Journal 2012, 18, 6555–6567.

Liakos, D. G.; Neese, F. Improved Correlation Energy Extrapolation Schemes Based on Local Pair Natural Orbital Methods. The Journal of Physical Chemistry A 2012, 116, 4801–4816.

Lancester, K. M.; Zaballa, M.-E.; Sproules, S.; Sundararajan, M.; DeBeer, S.; Richards, J. H.; Vila, A. J.; Neese, F.; Gray, H. B. Outer-Sphere Contributions to the Electronic Structure of Type Zero Copper Proteins. Journal of the American Chemical Society 2012, 134, 8241–8253.

Gaspar, A.; Schrader, W. Expanding the data depth for the analysis of complex crude oil samples by Fourier transform ion cyclotron resonance mass spectrometry using the spectral stitching method. Rapid Communications in Mass Spectrometry 2012, 26, 1047–1052.

Lu, Y.; Lan, Z.; Thiel, W. Monomeric Adenine Decay Dynamics Influenced by the DNA Environment. Journal of Computational Chemistry 2012, 33, 1225–1235.

Vennekate, H.; Schwarzer, D.; Torres-Alacan, J.; Krahe, O.; Filippou, A. C.; Neese, F.; Vöhringer, P. Ultrafast primary processes of an iron-(III) azido complex in solution induced with 266 nm light. Physical Chemistry Chemical Physics 2012, 14, 6165–6172.

Schüth, F.; Meier, J. C.; Katsounaros, I.; Topalov, A. A.; Kostka, A.; Mayrhofer, K. J.; Galeano, C. Degradation Mechanisms of Pt/C Fuel Cell Catalysts under Simulated Start-Stop Conditions. ACS Catalysis 2012, Nr. 5, 832–843.

Acevedo-Rocha, C. G.; Reetz, M. T. Tuning lipase activity with perfluro carboxylic acids as additives. Catalysis Science & Technology 2012, 2, 1553–1555.

Al Shaal, M. G.; Wright, W. R. H.; Palkovits, R. Exploring the ruthenium catalysed synthesis of γ-valerolactone in alcohols and utilisation of mild solvent-free reaction conditions. Green Chemistry 2012, 14, 1260–1263.

Benkhäuser-Schunk, C.; Wezisla, B.; Urbahn, K.; Kiehne, U.; Daniels, J.; Schnakenburg, G.; Neese, F.; Lützen, A. Synthesis, Chiral Resolution, and Absolute Configuration of Functionalized Tröger’s Base Derivatives: Part II. ChemPlusChem 2012, 77, 396–403.

Christian, G. J.; Ye, S.; Neese, F. Oxygen activation in extradiol catecholate dioxygenases – a density functional study. Chemical Science 2012, 3, 1600–1611.

Galeano Nunez, D. C.; Katsounarus, I.; Topalov, A.; Kostka, A.; Meier, J.; Mayrhofer, K.; Schüth, F. Degradation Mechanisms of Pt/C Fuel Cell Catalysts under Simulated Start-Stop Conditions. ACS Catalysis 2012, 2, 832–843.

Güttel, R.; Paul, M.; Galeano Nunez, D. C.; Schüth, F. Au,@ZrO₂ yolk-shell catalysts for CO oxidation: Study of particle size effect by ex-post size control of Au cores. Journal of Catalysis 2012, 289, 100–104.