Dortaj, S.; Matera, S.: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance. The Journal of Chemical Physics 159 (9), 094110 (2023)

Dudzinski, A. M.; Dudzinski, A.; Diesen, E.; Heenen, H.; Bukas, V. J.; Reuter, K.: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), pp. 12074 - 12081 (2023)

Dupuy, R.; Filser, J.; Richter, C.; Buttersack, T.; Trinter, F.; Gholami, S.; Seidel, R.; Nicolas, C.; Bozek, J.; Egger, D. et al.; Oberhofer, H.; Thürmer, S.; Hergenhahn, U.; Reuter, K.; Winter, B.; Bluhm, H.: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface. Physical Review Letters 130 (15), 156901 (2023)

Dupuy, R.; Filser, J.; Richter, C.; Seidel, R.; Trinter, F.; Buttersack, T.; Nicolas, C.; Bozek, J.; Hergenhahn, U.; Oberhofer, H. et al.; Winter, B.; Reuter, K.; Bluhm, H.: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 25 (33), p. 22538 - 22538 (2023)

Dupuy, R.; Thürmer, S.; Richter, C.; Buttersack, T.; Trinter, F.; Winter, B.; Bluhm, H.: Core-Level Photoelectron Angular Distributions at the Liquid–Vapor Interface. Accounts of Chemical Research 56 (3), pp. 215 - 223 (2023)

Eggert, T.; Hörmann, N.; Reuter, K.: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023)

Esquius, J. R.; Morgan, D. J.; Algara-Siller, G.; Gianolio, D.; Aramini, M.; Lahn, L.; Kasian, O.; Kondrat, S. A.; Schlögl, R.; Hutchings, G. J. et al.; Arrigo, R.; Freakley, S. J.: Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts. Journal of the American Chemical Society 145 (11), pp. 6398 - 6409 (2023)

Fang, L.; Chen, C.; Lu, X.; Ren, W.: Effects of pressure and temperature on topological electronic materials X₂Y₃ (X = As, Sb, Bi; Y = Se, Te) using first-principles. Physical Chemistry Chemical Physics 25 (31), pp. 20969 - 20978 (2023)

Fellows, A. P.; Balos, V.; John, B.; Diaz Duque, A.; Wolf, M.; Thämer, M.: Obtaining extended insight into molecular systems by probing multiple pathways in second-order nonlinear spectroscopy. The Journal of Chemical Physics 159 (16), 164201 (2023)

Fidanyan, K.; Liu, G.; Rossi, M.: Ab initio study of water dissociation on a charged Pd(111) surface. The Journal of Chemical Physics 158 (9), 094707 (2023)

Fielicke, A.: Probing the binding and activation of small molecules by gas-phase transition metal clusters via IR spectroscopy. Chemical Society Reviews 52 (11), pp. 3778 - 3841 (2023)

Foppa, L.; Rüther, F.; Geske, M.; Koch, G.; Girgsdies, F.; Kube, P.; Carey, S.; Hävecker, M.; Timpe, O.; Tarasov, A. et al.; Scheffler, M.; Rosowski, F.; Schlögl, R.; Trunschke, A.: Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation. Journal of the American Chemical Society 145 (6), pp. 3427 - 3442 (2023)

Frenzel, M.; Cherasse, M.; Urban, J.; Wang, F.; Xiang, B.; Nest, L.; Huber, L.; Perfetti, L.; Wolf, M.; Kampfrath, T. et al.; Zhu, X.-Y.; Maehrlein, S. F.: Nonlinear terahertz control of the lead halide perovskite lattice. Science Advances 9 (21), eadg3856 (2023)

Freund, H.-J.: Buchbesprechung: Gerhardt Ertl: Mein Leben mit der Wissenschaft. Bunsen-Magazin 2023 (3), pp. 93 - 94 (2023)

Friedrich, B.: A century ago the Stern-Gerlach experiment ruled unequivocally in favor of Quantum Mechanics. Israel Journal of Chemistry 63 (7-8), e202300047 (2023)

Friedrich, B.; Kleppner, D.; Herschbach, D.: About Roy Glauber. Natural Sciences, e20220064 (2023)

Fuhrich, A.; Paier, J.; Tosoni, S.; Lewandowski, A.; Gura, L.; Schneider, W.-D.; Pacchioni, G.; Freund, H.-J.: Mixed Germania-Silica Films on Ru(0001): A combined experimental and theoretical study. Israel Journal of Chemistry 63 (7-8), e202300005 (2023)

Gavini, V.; Baroni, S.; Blum, V.; Bowler, D. R.; Buccheri, A.; Chelikowsky, J. R.; Das, S.; Dawson, W.; Delugas, P.; Dogan, M. et al.; Draxl, C.; Galli, G.; Genovese, L.; Giannozzi, P.; Giantomassi, M.; Gonze, X.; Govoni, M.; Gygi, F.; Gulans, A.; Herbert, J. M.; Kokott, S.; Kühne, T. D.; Liou, K.-H.; Miyazaki, T.; Motamarri, P.; Nakata, A.; Pask, J. E.; Plessl, C.; Ratcliff, L. E.; Richard, R. M.; Rossi, M.; Schade, R.; Scheffler, M.; Schütt, O.; Suryanarayana, P.; Torrent, M.; Truflandier, L.; Windus, T. L.; Xu, Q.; Yu, V. W. -.; Perez, D.: Roadmap on electronic structure codes in the exascale era. Modelling and Simulation in Materials Science and Engineering 31 (6), 063301 (2023)

Gelžinytė, E.; Wengert, S.; Stenczel, T. K.; Heenen, H.; Reuter, K.; Csányi, G.; Bernstein, N.: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023)

Ghan, S.; Diesen, E.; Kunkel, C.; Reuter, K.; Oberhofer, H.: Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function. The Journal of Chemical Physics 158 (23), 234103 (2023)