Many natural and industrial processes involve a complex set of competing reactions that
include several different species. Detailed kinetic modeling of such systems can shed light …

In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not
only providing the ranking of chemical reactivities and energy barriers (eg, for optimal …

We present an updated and expanded dataset of benchmark propagation rate coefficient
(kp) data obtained from pulsed laser polymerization (PLP) of 13 vinyl monomers (styrene …

Purpose Microbially induced calcite precipitation (MICP) has been shown to mitigate sand
erosion; however, only few studies have used it on loess soils. Materials and methods This …

Amongst water-based emulsion adhesives, polyvinyl acetate (PVAc) emulsion is majorly
employed in the non-structural bonding of interior or exterior furniture and joinery industries …

The rapid development of computational hardware and software, as well as the advances in
new theoretical methodologies have allowed quantum chemistry, in particular density …

New ε-caprolactone (CL)-based materials were synthesized. Bulk ring-opening
polymerization of ε-caprolactone with 2-hydroxyethyl methacrylate (HEMA) as cocatalyst …

In this work, lignin-vinyl acetate copolymers containing different fractions of lignin were
synthesized by the copolymerization technique. The synthesized copolymer was …

Computational quantum chemistry can make valuable contributions to modelling and
improving free radical polymerisation. At a microscopic level, it can assist in establishing …

Throughout the last 25 years, computational chemistry based on quantum mechanics has
been applied to the investigation of reaction kinetics in free radical polymerization (FRP) …