Computer-Chemie-Centrum

Directed Dehydration as Synthetic Tool for Generation of a New Na4SnS4 Polymorph: Crystal Structure, Na+ Conductivity, and Influence of Sb-Substitution (2022) Hartmann F, Benkada A, Indris S, Poschmann M, Luehmann H, Duchstein P, Zahn D, Bensch W Journal article Resolution of Intramolecular Dipoles and a Push-Back Effect of Individual Molecules on a Metal Surface (2022) Trishin S, Müller T, Rolf D, Lotze C, Rietsch P, Eigler S, Meyer B, Franke KJ Journal article Solar Energy Storage: Competition between Delocalized Charge Transfer and Localized Excited States in the Norbornadiene to Quadricyclane Photoisomerization (2021) Alex W, Lorenz P, Henkel C, Clark T, Hirsch A, Guldi DM Journal article Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms (2021) Volkenandt S, Beierlein F, Imhof P Journal article General relation between stacking order and Chern index: A topological map of minimally twisted bilayer graphene (2021) Theil S, Fleischmann M, Gupta R, Rost F, Wullschläger F, Sharma S, Meyer B, Shallcross S Journal article The pi-hole revisited (2021) Politzer P, Murray JS, Clark T Journal article The Detosylation of Chiral 1,2-Bis(tosylamides) (2021) Gaston JJ, Tague AJ, Smyth JE, Butler NM, Willis AC, van Eikema Hommes N, Yu H, et al. Journal article An Electrically Conducting Three-Dimensional Iron-Catecholate Porous Framework (2021) Mahringer A, Doeblinger M, Hennemann M, Gruber C, Fehn D, Scheurle PI, Hosseini P, et al. Journal article Comprehensive Computational Investigation of the Barton-Kellogg Reaction for Both Alkyl and Aryl Systems (2021) Burns JM, Clark T, Williams CM Journal article Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide (2021) Hassan I, Ferraro F, Imhof P Journal article