Themed collection Celebrating the 200th Anniversary of the University of Manchester

In this review, the molecular chemistry of the f-elements with heavy pnictogen ligands from phosphorus to bismuth is described.

Intermolecular aminoarylation of alkynes is described, via addition of diarylanilines to alkynes and Smiles–Truce rearrangement.

X-ray absorption spectroscopy and dichroism are applied to probe the effect of 3d–4s mixing on electronic structure and magnetism for linearly coordinated Mn, Fe, Co, Ni and Cu.

A combined solid-state NMR and DFT computational shielding study confirms the presence of CeC double bonds in cerium–diphosphonioalkylidene complexes.

Using molecular dynamics, machine learning, and density functional theory calculations we make predictions on engineered cytochrome P450 structures and their product distributions.

EvalRetro: Unifying the evaluation of machine learning frameworks to enhance understanding and transparency for retrosynthesis.

An investigation of the phase sequence isotropic-fluid smectic-hexatic smectic-soft crystal–crystalline reveals the potential and limitations of convolutional neural networks applied to the classification of achiral orthogonal liquid crystal phases.

We use insulating polystyrene colloid particles to selectively cover the electron transport layer of n-i-p perovskite solar cells and investigate the effects of the coverage and lateral blocking distance on device performance.

The interactions of the early actinides with molecular Fe₁₃ Keggin species of relevance to Sellafield's Enhanced Actinide Removal Plant are investigated computationally using scalar and spin–orbit relativistic hybrid density functional theory.

We report for the first time a combined computational and experimental study of the impact of Ag doping on the thermoelectric properties of SnS and introduce a fitting procedure to determine parameters that cannot easily be determined experimentally.