King, A. E.; Nippe, M.; Atanasov, M.; Chantarojsiri, T.; Wray, C. A.; Bill, E.; Neese, F.; Long, J. R.; Chang, C. J.: A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry 53 (21), S. 11388 - 11395 (2014)

Retegan, M.; Cox, N.; Pantazis, D. A.; Neese, F.: A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes. Inorganic Chemistry 53 (21), S. 11785 - 11793 (2014)

Busch, M.; Schmidt, W.; Migunov, V.; Beckel, A.; Notthoff, C.; Kompch, A.; Bergmann, U.; Winterer, M.; Atakan, B.: Effect of preparation of iron-infiltrated activated carbon catalysts on nitrogen oxide conversion at low temperature. Applied Catalysis B 160-161, S. 641 - 650 (2014)

Fürstner, A.: Quelques commentaires sur la catalyse : la recherche fondamentale précède les applications. Some comments about catalysis: Fundamental research precedes applications. Comptes Rendus Chimie 17 (11), S. 1065 - 1070 (2014)

Krech, D.; Zibrowius, B.; Weidenthaler, C.; Felderhoff, M.: On the Preparation and Structure of Caesium Aluminium Tetrahydride. European Journal of Inorganic Chemistry 2014 (33), S. 5683 - 5688 (2014)

Verheyen, E.; Joos, L.; Martineau, C.; Dawson, C. J.; Weidenthaler, C.; Schmidt, W.; Yuan, R.; Breynaert , E.; van Speybroeck , V.; Waroquier, M. et al.; Taulelle, F.; Treacy, M. M. J.; Martens, J. A.; Kirschhock, C. E. A.: Flexibility versus rigidity: what determines the stability of zeolite frameworks? A case study. Materials Horizons 1 (6), S. 582 - 587 (2014)

Caddeo, C.; Fazzi, D.; Caironi, M.; Mattoni, A.: Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases. The Journal of Physical Chemistry B 118 (43), S. 12556 - 12565 (2014)

Barbatti, M.: Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers. ChemPhysChem 15 (15), S. 3342 - 3354 (2014)

Escudero, D.; Thiel, W.: Exploring the Triplet Excited State Potential Energy Surfaces of a Cyclometalated Pt(II) Complex: Is There Non-Kasha Emissive Behavior? Inorganic Chemistry 53 (20), S. 11015 - 11019 (2014)

Götze, J.; Kröner, D.; Banerjee, S.; Karasulu, B.; Thiel, W.: Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow. ChemPhysChem 15 (15), S. 3392 - 3401 (2014)

Loh, C. C. J.; Chauhan, P.; Hack, D.; Lehmann, C. W.; Enders, D.: Rapid Asymmetric Synthesis of Highly Functionalized Indanols via a Michael/Henry Organocascade with Submol% Squaramide Catalyst Loadings. Advanced Synthesis & Catalysis 356 (14-15), S. 3181 - 3186 (2014)

Urbanczyk, R.; Peinecke, K.; Felderhoff, M.; Hauschild, K.; Kersten, W.; Peil, S.; Bathen, D.: Aluminium alloy based hydrogen storage tank operated with sodium aluminium hexahydride Na₃AlH₆. International Journal of Hydrogen Energy 39 (30), S. 17118 - 17128 (2014)

Kollmar, C.; Neese, F.: The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets. The Journal of Chemical Physics 141 (13), 134106 (2014)

Beydoun, K.; Ghattas, G.; Thenert, K.; Klankermayer, J.; Leitner, W.: Ruthenium-Catalyzed Reductive Methylation of Imines Using Carbon Dioxide and Molecular Hydrogen. Angewandte Chemie International Edition 53 (41), S. 11010 - 11014 (2014)

Lhermet, R.; Fürstner, A.: Cross-Metathesis of Terminal Alkynes. Chemistry - A European Journal 20 (41), S. 13188 - 13193 (2014)

Seidel, R. W.; Goddard, R.; Oppel, I. M.: Isomorphous free-base, Ni(II)- and Cu(II)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures. CrystEngComm 16 (45), S. 10505 - 10511 (2014)

Zapata-Rivera, J.; Caballol, R.; Calzado, C. J.; Liakos, D. G.; Neese, F.: On the Reaction Mechanism of the Complete Intermolecular O₂ Transfer between Mononuclear Nickel and Manganese Complexes with Macrocyclic Ligands. Chemistry – A European Journal 20 (41), S. 13296 - 13304 (2014)

Deng, X.; Tüysüz, H.: Cobalt-Oxide-Based Materials as Water Oxidation Catalyst: Recent Progress and Challenges. ACS Catalysis 4 (10), S. 3701 - 3714 (2014)

Rumpel, S.; Siebel, J. F.; Farès, C.; Duan, J.; Reijerse, E.; Happe, T.; Lubitz, W.; Winkler, M.: Enhancing hydrogen production of microalgae by redirecting electrons from photosystem I to hydrogenase. Energy & Environmental Science 7 (10), S. 3296 - 3301 (2014)

Sharma, S.; Sivalingam, K.; Neese, F.; Chan, G. K.-L.: Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics. Nature Chemistry 6 (10), S. 927 - 933 (2014)