Liao, R.-Z.; Thiel, W. Determinants of Regioselectivity and Chemoselectivity in Fosfomycin Resistance Protein FosA from QM/MM Calculations. The Journal of Physical Chemistry B 2013, 117, 1326–1336.

Agudo Torres, R.; Roiban, G.-D.; Reetz, M. T. Induced Axial Chirality in Biocatalytic Asymmetric Ketone Reduction. Journal of the American Chemical Society 2013, 135, 1665–1668.

Liao, R.-Z. Why is the molybdenum-substituted tungsten-dependent formaldehyde ferredoxin oxidoreductase not active? A quantum chemical study. Journal of Biological Inorganic Chemistry 2013, 18, 175–181.

Richter, F. H.; Pupovac, K.; Palkovits, R.; Schüth, F. Set of Acidic Resin Catalysts To Correlate Structure and Reactivity in Fructose Conversion to 5-Hydroxymethylfurfural. ACS Catalysis 2013, 3, 123–127.

Schweitzer-Chaput, B.; Klussmann, M. Brønsted acid-catalyzed C-H Functionalisation of N-Protected Tetrahydroisoquinolines via Intermediate Peroxides. European Journal of Organic Chemistry 2013, 2013, 666–671.

Seidel, R. W.; Goddard, R.; Breidung, J.; Bamfaste, P.; Neff, D.; Oppel, I. M. Reversible crystal-to-crystal phase transition of a 4,4′-bipyridine-linked dinuclear copper(II) complex. Structural Chemistry 2013, 24, 181–189.

Sternberg, M.; Rust, J.; Lehmann, C. W.; Mohr, F. Synthesis and Metal Complexes of Thiourea Ligands Containing Carbohydrate-Derived Substituents. Helvetica Chimica Acta 2013, 96, 280–288.

vom Stein, T.; Weigang, T.; Merkens, C.; Klankermayer, J.; Leitner, W. Trimethylenemethane-Ruthenium(II)-Triphos complexes as highly active catalysts for catalytic C—O bond cleavage reactions of lignin model compounds. ChemCatChem 2013, 5, 439–441.

Cui, G.; Fang, W. State-specific heavy-atom effect on intersystem crossing processes in 2-thiothymine: A potential photodynamic therapy photosensitizer. The Journal of Chemical Physics 2013, 138, 044315 (1)-044315 (9).

Riplinger, C.; Neese, F. An efficient and near linear scaling pair natural orbital based local coupled cluster method. The Journal of Chemical Physics 2013, 138, 034106.

Krasnopolski, M.; Seidel, R. W.; Goddard, R.; Breidung, J.; Winter, M. V.; Devi, A.; Fischer, R. A. A Z' = 6 crystal structure of (E)-N,N'-dicyclohexylacetamidine. Journal of Molecular Structure 2013, 1031, 239–245.

Lim, I. H.; Schrader, W.; Schüth, F. The formation of zeolites from solution - Analysis by mass spectrometry. Microporous and Mesoporous Materials 2013, 166, 20–36.

Gallo, E.; Bonino, F.; Swarbrick, J. C.; Petrenko, T.; Piovano, A.; Bordiga, S.; Gianolio, D.; Groppo, E.; Neese, F.; Lamberti, C.; Glatzel, P. Preference towards Five‐Coordination in Ti Silicalite‐1 upon Molecular Adsorption. ChemPhysChem 2013, 14, 79–83.

Theuerkauf, J.; Franciò, G.; Leitner, W. Continuous-Flow Asymmetric Hydrogenation of the β-Keto Ester Methyl Propionylacetate in Ionic Liquid–Supercritical Carbon Dioxide Biphasic Systems. Advanced Synthesis and Catalysis 2013, 355, 209–219.

Zhang, Z.-G.; Roiban, G.-D.; Acevedo, J. P.; Polyak, I.; Reetz, M. T. A New Type of Stereoselectivity in Baeyer–Villiger Reactions: Access to E- and Z-Olefins. Advanced Synthesis & Catalysis 2013, 355, 99–106.

Augustyniak, W.; Wienk, H.; Boelens, R.; Reetz, M. T. ¹H, ¹³C and ¹⁵N resonance assignments of wild-type Bacillus subtilis Lipase A and its mutant evolved towards thermostability. Biomolecular NMR Assignment 2013, 1–4.

Schüth, F. Your Journal for High Science. Chemistry of Materials 2013, 24, 1–2.

Wu, Q.; Soni, P.; Reetz, M. T. Laboratory Evolution of Enantiocomplementary Candida antarctica Lipase B Mutants with Broad Substrate Scope. Journal of the American Chemical Society 2013, 135, 1872–1881.

Grebner, C.; Kästner, J.; Thiel, W.; Engels, B. A New Tabu-Search-Based Algorithm for Solvation of Proteins. Journal of Chemical Theory and Computation 2013, 9, 814–821.

Pandelia, M.-E.; Bykov, D.; Izsak, R.; Infossi, P.; Giudici-Orticoni, M.-T.; Bill, E.; Neese, F.; Lubitz, W. Electronic structure of the unique [4Fe-3S] cluster in O₂-tolerant hydrogenases characterized by ⁵⁷Fe Mössbauer and EPR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, 483–488.