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Dimitrov, T.; Appel, H.; Fuks, J. I.; Rubio, A.: Exact maps in density functional theory for lattice models. New Journal of Physics 18 (8), 083004 (2016)

Dogan, B.; Schneider, J.; Reuter, K.: In silico dissolution rates of pharmaceutical ingredients. Chemical Physics Letters 662, pp. 52 - 55 (2016)

Dostert, K.-H.; O'Brien, C.; Liu, W.; Riedel, W.; Savara, A. A.; Tkatchenko, A.; Schauermann, S.; Freund, H.-J.: Adsorption of isophorone and trimethyl-cyclohexanone on Pd(111): A combination of infrared reflection absorption spectroscopy and density functional theory studies. Surface Science 650, pp. 149 - 160 (2016)

Dostert, K.-H.; O'Brien, C.; Mirabella, F.; Ivars Barcelo, F.; Schauermann, S.: Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection–absorption spectroscopy and temperature programmed desorption study. Physical Chemistry Chemical Physics 18 (20), pp. 13960 - 13973 (2016)

Doyle, J. M.; Friedrich, B.; Narevicius, E.: Physics and Chemistry with Cold Molecules. ChemPhysChem 17 (22), pp. 3581 - 3582 (2016)

Ertl, G.; Friedrich, B.: Fritz Stern (1926–2016). Angewandte Chemie International Edition 55 (33), pp. 9470 - 9471 (2016)

Ertl, G.; Friedrich, B.: Fritz Stern (1926–2016). Angewandte Chemie 128 (33), pp. 9620 - 9621 (2016)

Fagiani, M. R.; Knorke, H.; Esser, T. K.; Heine, N.; Wolke, C. T.; Gewinner, S.; Schöllkopf, W.; Gaigeot, M.-P.; Spezia, R.; Johnson, M. A. et al.; Asmis, K. R.: Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects. Physical Chemistry Chemical Physics 18 (38), pp. 26743 - 26754 (2016)

Fechler, N.; Zussblatt, N. P.; Rothe, R.; Schlögl, R.; Willinger, M. G.; Chmelka, B. F.; Antonietti, M.: Eutectic Syntheses of Graphitic Carbon with High Pyrazinic Nitrogen Content. Advanced Materials 28 (6), pp. 1287 - 1294 (2016)

Feiten, F. E.; Kuhlenbeck, H.; Freund, H.-J.: Reducing the V₂O₃(0001) surface through electron bombardment – a quantitative structure determination with I/V-LEED. Physical Chemistry Chemical Physics 18 (4), pp. 3124 - 3130 (2016)

Ferreira, A. R.; Reuter, K.; Scheurer, C.: Toward Routine Gauge-Including Projector Augmented-Wave Calculations for Metallic Systems: The Case of ScT₂Al (T = Ni, Pd, Pt, Cu, Ag, Au) Heusler Phases. The Journal of Physical Chemistry C 120 (44), pp. 25530 - 25540 (2016)

Ferreira, A. R.; Reuter, K.; Scheurer, C.: DFT simulations of ⁷Li solid state NMR spectral parameters and Li⁺ ion migration barriers in Li₂ZrO₃. RSC Advances 6 (47), pp. 41015 - 41024 (2016)

Frank, B.; Xie, Z.; Friedel Ortega, K.; Scherzer, M.; Schlögl, R.; Trunschke, A.: Modification of the carbide microstructure by N- and S-functionalization of the support in MoxC/CNT catalysts. Catalysis Science & Technology 6 (10), pp. 3468 - 3475 (2016)

Friedrich, B.: How Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and Leipzig. Angewandte Chemie International Edition 55 (18), pp. 5378 - 5392 (2016)

Friedrich, B.: Wie kam der Baum des Wissens zur Blüte? Der Aufstieg der physikalischen und theoretischen Chemie, mit besonderem Augenmerk auf Berlin und Leipzig. Angewandte Chemie 128 (18), pp. 5466 - 5481 (2016)

Friedrich, B.; Hoffmann, D.: Clara Haber, nee Immerwahr (1870-1915): Life, Work and Legacy. Zeitschrift für anorganische und allgemeine Chemie 642 (6), pp. 437 - 448 (2016)

Fujimori, Y.; Zhao, X.; Shao, X.; Levchenko, S. V.; Nilius, N.; Sterrer, M.; Freund, H.-J.: Interaction of Water with the CaO(001) Surface. The Journal of Physical Chemistry C 120 (10), pp. 5565 - 5576 (2016)

Galván, C. Á.; Schumann, J.; Behrens, M.; Fierro, J. L. G.; Schlögl, R.; Frei, E.: Reverse water-gas shift reaction at the Cu/ZnO interface: Influence of the Cu/Zn ratio on structure-activity correlations. Applied Catalysis B 195, pp. 104 - 111 (2016)

Ghalgaoui, A.; Doudin, N.; Calaza, F.; Surnev, S.; Sterrer, M.: Ordered Au Nanoparticle Array on Au(111) through Coverage Control of Precursor Metal–Organic Chains. The Journal of Physical Chemistry C 120 (31), pp. 17418 - 17426 (2016)