It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Transition metal catalysis is of utmost importance for the development of sustainable
processes in academia and industry. The activity and selectivity of metal complexes are …

Graphically revealing interaction regions in a chemical system enables chemists to quickly
recognize where significant interactions have formed. Reduced density gradient (RDG) has …

In recent years, intramolecular noncovalent interaction has become an important means to
modulate the optoelectronic performances of organic/polymeric semiconductors. However, it …

An electron density (ED)-based methodology is developed for the automatic identification of
intermolecular interactions using pro-molecular density. The expression of the ED gradient …

London dispersion, which constitutes the attractive part of the famous van der Waals
potential, has long been underappreciated in molecular chemistry as an important element …

The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

Ionic liquids (ILs) hold great promise in the fields of green chemistry, environmental science,
and sustainable technology due to their unique properties, such as a tailorable structure, the …

Benzo [a] pyrene is a known carcinogen, which derives from fossil fuel combustion, cigarette
smoke, and generic biomass combustion including traffic emissions. This potent carcinogen …

Conceptual Density Functional Theory A unique resource that combines experimental and
theoretical qualitative computing methods for a new foundation of chemical reactivity This …