Dutta, A. K.; Neese, F.; Izsák, R.: Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation. Molecular Physics 116 (11), pp. 1428 - 1434 (2018)

Belsare, S.; Pattni, V.; Heyden, M.; Head-Gordon, T.: Solvent Entropy Contributions to Catalytic Activity in Designed and Optimized Kemp Eliminases. The Journal of Physical Chemistry B 122 (21), pp. 5300 - 5307 (2018)

Dierks, M.; Cao, Z.; Manayil, J. C.; Akilavasan, J.; Wilson, K.; Schüth, F.; Rinaldi, R.: Impact of Hydrophobic Organohybrid Silicas on the Stability of Ni₂P Catalyst Phase in the Hydrodeoxygenation of Biophenols. ChemCatChem 10 (10), pp. 2219 - 2231 (2018)

Rottschäfer, D.; Ho, N. K. T.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Andrada, D. M.; Ghadwal, R. S.: N‐Heterocyclic Carbene Analogues of Thiele and Chichibabin Hydrocarbons. Angewandte Chemie International Edition 57 (20), pp. 5838 - 5842 (2018)

Guo, R.; Chen, J.: Recent advances in the synthesis of fluorinated hydrazones. RSC Advances 8 (31), pp. 17110 - 17120 (2018)

Francke, R.; Schille, B.; Roemelt, M.: Homogeneously Catalyzed Electroreduction of Carbon Dioxide—Methods, Mechanisms, and Catalysts. Chemical Reviews 118 (9), pp. 4631 - 4701 (2018)

Lu, W.-D.; Wang, Q.; He, L.; Li, W.; Schüth, F.; Lu, A.-H.: Copper Supported on Hybrid C@SiO₂ Hollow Submicron Spheres as Active Ethanol Dehydrogenation Catalyst. ChemNanoMat 4 (5), pp. 505 - 509 (2018)

Majumdar, B. B.; Ebbinghaus, S.; Heyden, M.: Macromolecular crowding effects in flexible polymer solutions. Journal of Theoretical & Computational Chemistry 17 (3), 1840006 (2018)

Melo, M. C. R.; Bernardi, R. C.; Rudack, T.; Scheurer, M.; Riplinger, C.; Phillips, J. C.; Maia, J. D. C.; Rocha, G. B.; Ribeiro, J. V.; Stone, J. E. et al.; Neese, F.; Schulten, K.; Luthey-Schulten, Z.: NAMD goes quantum: an integrative suite for hybrid simulations. Nature methods 15 (5), pp. 351 - 354 (2018)

Sommer, C.; Rumpel, S.; Roy, S.; Farès, C.; Artero, V.; Fontecave, M.; Reijerse, E.; Lubitz, W.: Spectroscopic investigations of a semi-synthetic [FeFe] hydrogenase with propane di-selenol as bridging ligand in the binuclear subsite: comparison to the wild type and propane di-thiol variants. Journal of Biological Inorganic Chemistry 23 (3), pp. 481 - 491 (2018)

Zarate, X.; Saavedra-Torres, M.; Rodriguez-Serrano, A.; Gomez, T.; Schott, E.: Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs. Journal of Computational Chemistry 39 (11), pp. 685 - 698 (2018)

Armengol, P.; Spörkel, L.; Gelabert, R.; Moreno, M.; Thiel, W.; Lluch, J. M.: Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent protein. Physical Chemistry Chemical Physics 20 (16), pp. 11067 - 11080 (2018)

Altun, A.; Neese, F.; Bistoni, G.: Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study. Beilstein Journal of Organic Chemistry 14, pp. 919 - 929 (2018)

Castro, M.; Losch, P.; Park, W.; Haouas, M.; Taulelle, F.; Loerbroks, C.; Brabants, G.; Breynaert, E.; Kirschhock, C.; Ryoo, R. et al.; Schmidt, W.: Unraveling Direct Formation of Hierarchical Zeolite Beta by Dynamic Light Scattering, Small Angle X-ray Scattering, and Liquid and Solid State NMR: Insights at the Supramolecular Level. Chemistry of Materials 30 (8), pp. 2676 - 2686 (2018)

Wang, G.-H.; Chen, K.; Engelhardt, J.; Tüysüz, H.; Bongard, H.-J.; Schmidt, W.; Schüth, F.: Scalable One-Pot Synthesis of Yolk–Shell Carbon Nanospheres with Yolk-Supported Pd Nanoparticles for Size-Selective Catalysis. Chemistry of Materials 30 (8), pp. 2483 - 2487 (2018)

Liu, J.; Thiel, W.: An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics. The Journal of Chemical Physics 148 (15), 154103 (2018)

Göhl, D.; Mingers, A. M.; Geiger, S.; Schalenbach, M.; Cherevko, S.; Knossalla, J.; Jalalpoor, D.; Schüth, F.; Mayrhofer, K. J.J.; Ledendecker, M.: Electrochemical stability of hexagonal tungsten carbide in the potential window of fuel cells and water electrolyzers investigated in a half-cell configuration. Electrochimica Acta 270, pp. 70 - 76 (2018)

Lu, Q.; Neese, F.; Bistoni, G.: Formation of Agostic Structures Driven by London Dispersion. Angewandte Chemie International Edition 57 (17), pp. 4760 - 4764 (2018)

Rottschäfer, D.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Andrada, D. M.; Ghadwal, R. S.: Crystalline Radicals Derived from Classical N-Heterocyclic Carbenes. Angewandte Chemie International Edition 57 (17), pp. 4765 - 4768 (2018)

Fürstner, A.: Gold Catalysis for Heterocyclic Chemistry: A Representative Case Study on Pyrone Natural Products. Angewandte Chemie International Edition 57 (16), pp. 4215 - 4233 (2018)