Glycine is a small molecule. It cannot change its conformation and is achiral. Despite the
apparent simplicity, glycine shows endless diversity in its behavior over many phenomena. It …

In this work, crystal structure prediction (CSP) calculations were used to guide the
crystallization of three elusive polymorphic forms of meloxicam (MLX): II, III, and V. Despite …

A molecular crystal structure prediction (CSP) workflow, based on the random structure
generator, Genarris, and the genetic algorithm (GA), GAtor, is applied to the energetic …

Molecular perovskites, ie ABX3 coordination polymers with a perovskite structure, are a
chemically diverse material platform for studying fundamental and applied materials …

High-pressure conditions can be considered as an alternative, environmentally responsible
way for the equilibrium reactions, such as disulfide exchange. This approach is capable of …

High-pressure recrystallization could be the cheapest clean method of resolving
enantiomers from the racemates defying Wallach's rule. We have investigated the effect of …

Understanding the intricacies of polymorphic origins in nonconjugated crystal systems is
crucial for optimizing their properties. This study focuses on the crystal growth …

The polymorphism of molecular crystals is a well-known phenomenon, resulting in
modifications of physicochemical properties of solid phases. Low temperatures and high …

Diaryl disulfides are important in chemistry and materials science, yet their conformational
equilibria often remain experimentally unexplored due to conformer predominance or …

The perovskite structure is common to a wide range of materials which exhibit a rich vari
ety of physical properties, such as ferroelectricity, antiferromagnetism, piezoelectricity, gi  …