Spectroscopic fingerprints of covalency in actinium radiopharmaceutical analogues

How Spin-Orbit Coupling Governs Phosphorescence Efficiency in Ru–Aromatic Chromophores

ADF Study of Photoconversion Efficiency Enhancement in Zinc Porphyrin Dyes via Donor–Acceptor Theory and the BCL Model

SCM Office Closure Notice (22 December 2025 – 5 January 2026)

Course: TheoCheM Academy – Solutions through Computational Chemistry

Correcting the Record: DFT Confirms J Couplings Are Enantio-Insensitive

Fast & Accurate Excited-State Calculations for PCBM: TDDFT vs sTDDFT

Singlet and Triplet Exciton Transfer Integrals with FOCDFT in ADF

From Computation to Experiment: Predicting Radical Performance in Overhauser Effect DNP NMR

Coordination of Pt Single-Atom Catalysts via NMR: Experiment and Theory