Computer-Chemie-Centrum (CCC)

Charge-dipole bound anion-anion complexes (2026) Murray JS, Clark T Journal article Trapped Cycloadducts of 1-Azabutadienes via Microwave-Assisted Ring Opening of N-Acyl-2-azetines (2026) Su C, Cameron JP, Bernhardt PV, Clark T, Williams CM Journal article The Myth of “Anti-Electrostatic” Bonds (2026) Clark T Journal article Activation volumes associated with excited-state electron transfer across amidinium-carboxylate bridge (2026) Langford D, Weiß R, Krug M, Urbani M, Zahl A, Müller C, Clark T, et al. Journal article Uncovering gamma-stable organic semiconductors: large-scale screening and predictive modelling for radiation-hard applications (2026) Bornschlegl A, Mozer AJ, Posar JA, Wu J, Rocha-Ortiz JS, Duchstein P, Caicedo-Reina M, et al. Journal article Subporphyrazine scaffolds as emerging electron acceptors for long-lived charge separation (2026) Krishna S, Cañizares-Espada E, Guzmán D, Bo Y, Clark T, Torres T, Guldi DM, Rodríguez-Morgade MS Journal article From handbooks to high-throughput: rule-based prediction of electronic absorption maxima from SMILES with ChromoPredict (2026) Forster C, Müller C Journal article 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 From Handbooks to High-Throughput: Rule-Based Prediction of Electronic Absorption Maxima from SMILES with ChromoPredict (2025) Forster C, Müller C Journal article Interplay between Through-Space and Through-Bond Electronic Coupling in Singlet Fission (2025) Thiel D, Gotfredsen H, Greißel P, Chen L, Krug M, Papadopoulos I, Ferguson MJ, et al. Journal article