Chemical Science

A reversible photo-induced instability has been found in mixed-halide photovoltaic perovskites that limits the open circuit voltage in solar cells.

We report a global-hybrid approximation, MN15, to the exchange–correlation functional of Kohn–Sham theory with broadly accurate performance for both multi-reference and single-reference systems.

The folate receptor (FR) is an important biomarker for many cancers, and its overexpression on tumours can be exploited for targeted therapy, diagnosis and imaging.

The efficiency of the intersystem crossing process can be improved by reducing the energy gap between the singlet and triplet excited states (ΔE_ST), which offers the opportunity to improve the yield of the triplet excited state.

Recent developments in stereoselective 1,2-cisglycosylation that have emerged during the past decade are surveyed herein.