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We show that a new class of contorted polycyclic aromatic hydrocarbons (PAHs) containing five-membered rings can be prepared via a palladium-catalyzed cyclopentannulation followed by Scholl… (More)
Abstract Understanding and tuning photogenerated excitons in organic materials are crucial for high performance organic photovoltaics. Using a combined experimental and computational approach, we… (More)
A new class of stabilized pentacene derivatives with externally fused five-membered rings are prepared by means of a key palladium-catalyzed cyclopentannulation step. The target compounds are… (More)
This chapter deals with studies of the structural, electronic, optic, and catalytic properties of transition metal nanoclusters using molecular modeling techniques, often denoted as Computational… (More)