Computer-Chemie-Centrum (CCC)

Reversible gating of singlet fission by tuning the role of a charge-transfer state (2025) Bo Y, Hou Y, Lavergne DA, Clark T, Ferguson MJ, Tykwinski RR, Guldi DM Journal article Helically Chiral Mixed-Valence Systems Comprising N-Heterotriangulenes: Stabilization of the Cationic Species by π-Expansion (2025) Borstelmann J, Zank S, Krug M, Berger G, Fröhlich N, Glotz G, Gnannt F, et al. Journal article Intramolecular Singlet Fission in Individual Graphene Nanoribbons─Competition with a Charge Transfer (2025) Greißel P, Beneventi GM, Weiß R, Wollny AS, Dubey RK, Melle-Franco M, Clark T, et al. Journal article Mode of Metal Ligation Governs Inhibition of Carboxypeptidase A (2024) Amador Balderas JA, Beierlein F, Horn A, Volkenandt S, Völcker L, Mokhtari N, Epee Ndongue JC, Imhof P Journal article Classification of substances by health hazard using deep neural networks and molecular electron densities (2024) Singh S, Zeh G, Freiherr J, Bauer T, Türkmen I, Grasskamp AT Journal article Fused Hexabenzocoronene-Porphyrin Conjugates with Tailorable Excited-State Lifetimes (2024) Oleszak C, Schol P, Ritterhoff C, Krug M, Martin M, Bo Y, Meyer B, et al. Journal article Correspondence between the reaction force minimum and the onset of abrupt variations of the kinetic and potential energies in bond dissociation and formation (2024) Politzer P, Gutiérrez-Oliva S, Clark T, Murray JS Journal article The small molecule activator S3969 stimulates the epithelial sodium channel by interacting with a specific binding pocket in the channel's β-subunit (2024) Sure F, Einsiedel J, Gmeiner P, Duchstein P, Zahn D, Korbmacher C, Ilyaskin A Journal article Determinants of Neutral Antagonism and Inverse Agonism in the β2-Adrenergic Receptor (2024) Calderon Reyes J, Ibrahim P, Gobbo D, Gervasio FL, Clark T Journal article Intramolecular Triplet Diffusion Facilitates Triplet Dissociation in a Pentacene Hexamer (2024) Greißel P, Thiel D, Gotfredsen H, Chen L, Krug M, Papadopoulos I, Miskolzie M, et al. Journal article