Elucidating the formation of Al-NBO bonds, Al-O-Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations (2019) Ganisetti VNS, Gaddam A, Kumar R, Balaji S, Mather GC, Pascual MJ, Fabian M, et al. Journal article Growth and stability of Pt nanoclusters from 1 to 50 atoms on h-BN/Rh(111) (2019) Düll F, Meusel M, Späth F, Schötz S, Bauer U, Bachmann P, Steinhauer J, et al. Journal article Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering (2019) Weinhardt L, Benkert A, Meyer F, Blum M, Hauschild D, Wilks RG, Bär M, et al. Journal article Dimethylaniline functionalised pyrene fluorophores; Dual colour pH switching in solution and self-Assembled monolayers (2019) O'Connor D, Müller C, Sarangi NK, Byrne A, Keyes TE Journal article Deviations from Beer's law on the microscale-nonadditivity of absorption cross sections (2019) Mayerhoefer TG, Hoefer S, Popp J Journal article Computational acceleration of prospective dopant discovery in cuprous iodide (2019) Grauzinyte M, Botti S, Marques MAL, Goedecker S, Flores-Livas JA Journal article The role of pH, metal ions and their hydroxides in charge reversal of protein-coated nanoparticles (2019) Schubert J, Radeke C, Fery A, Chanana M Journal article Doping engineering of thermoelectric transport in BNC heteronanotubes (2019) Sandonas LM, Cuba-Supanta G, Gutierrez R, Landauro CV, Rojas-Tapia J, Cuniberti G Journal article Stabilization of aqueous graphene dispersions utilizing a biocompatible dispersant: a molecular dynamics study (2019) Huang S, Croy A, Bezugly V, Cuniberti G Journal article Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni) (2019) St Petkov P, Bon V, Hobday CL, Kuc AB, Melix P, Kaskel S, Duren T, Heine T Journal article