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

New AMS Reference Paper Published

Theoretical calculations reveal origin of violet-blue emission in semiconducting 2D hybrid perovskite