Acenes, consisting of linearly fused benzene rings, are an important fundamental class of
organic compounds with various applications. Hexacene is the largest acene that was …

Emergence of π-magnetism in open-shell nanographenes has been theoretically predicted
decades ago but their experimental characterization was elusive due to the strong chemical …

An efficient and near linear scaling pair natural orbital based local coupled cluster method | The
Journal of Chemical Physics | AIP Publishing Skip to Main Content Umbrella Alt Text Umbrella …

Spin-component scaled double hybrids including dispersion correction were optimized for
many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD …

Following up on an earlier preliminary communication (Kozuch and Martin, Phys. Chem.
Chem. Phys. 2011, 13, 20104), we report here in detail on an extensive search for the most …

Singlet fission, the process of forming two triplet excitons from one singlet exciton, is a
characteristic reserved for only a handful of organic molecules due to the atypical energetic …

Conspectus Polycyclic aromatic hydrocarbons (PAHs), consisting of laterally fused benzene
rings, are among the most widely studied small-molecule organic semiconductors, with …

Singlet fission is a form of multiple exciton generation, which occurs in organic
chromophores when a high-energy singlet exciton separates into two lower energy triplet …

Understanding and controlling the electronic structure of molecules is crucial when
designing and optimizing new organic semiconductor materials. We report the …

We report the synthesis and characterization of “bistetracene”, an unconventional, linearly
extended conjugated core with eight fused rings. The annellation mode of the system allows …