Chirality is a universal phenomenon in molecular and biological systems, denoting an
asymmetric configurational property where an object cannot be superimposed onto its mirror …

Asphalt is widely used in pavement constructions where it serves as a binder to bond the
aggregates together. The rheology of asphalt, which is an important consideration for …

The nature of π–π interactions has long been debated. The term “π-stacking” is considered
by some to be a misnomer, in part because overlap** π-electron densities are thought to …

Ionic liquids have emerged as a promising new material for a wide range of industrial
applications, because of their unique structures and properties. Ionic liquids possess …

Liquid crystalline elastomers (LCE) are stimuli‐responsive materials with a distinguished
mechanical response. LCE have been subject to numerous recent functional examinations …

Herein, we review state-of-the-art computational chemistry approaches utilized to routinely
investigate non-covalent interactions, from weak hydrogen bonds, to π-stacking and σ-hole …

In the production and transportation of crude oils, the interaction between asphaltene
components and water is inevitable, significantly impacting asphaltene aggregation …

Multipole moments such as charge, dipole, and quadrupole are often invoked to rationalize
intermolecular phenomena, but a low-order multipole expansion is rarely a valid description …

Understanding the mechanisms of viscosity enhancement in crude oil phases is crucial for
optimizing extraction and transportation processes. The enhanced viscosity mechanism of …

Petroporphyrins, geoporphyrins, or metalloporphyrins are the original petroleum biomarkers,
identified by Alfred Treibs more than a century ago and the first molecular evidence for the …