Although pure formamidinium iodide perovskite (FAPbI3) possesses an optimal gap for photovoltaics, their poor phase stability limits the long-term operational stability of the devices. A promising approach to enhance their…
Novel copolymers of vinyl acetate and ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates, RPhCH=C(CN)CO2C2H5 (where R is 4-acetoxy, 4-acetamido, 2-cyano, 3-cyano, 4-cyano, 4-dimethylamino, 4-diethylamino, 2,4,6-trimethyl, 2,3-dimethyl-4-methoxy, 2,4-dimethoxy-3-methyl were prepared in solution with radical initiation…
Chemical bonds and noncovalent interactions are extraordinarily important concepts in chemistry and beyond. Using density-based quantities to describe them has a long history in the literature, yet none can satisfactorily…
New technologies for the creation of topological carbon nanostructures have significantly advanced synthetic organic chemistry and materials science. While simple molecular nanocarbons with a belt topology have been constructed recently,…
Designing compounds with as long carbon-carbon bond distances as possible to challenge conventional chemical wisdom is of current interest in the literature. These compounds with exceedingly long bond lengths are…
We report the static and dynamical properties of liquid water at the level of second-order M?ller-Plesset per- perturbation theory (MP2) with classical and quantum nuclear dynamics using a neural network…
{In the|Within the|Inside the} {current|present|existing} {work|function|perform|operate}, we present a {combination|mixture} of {various|numerous|different|a variety of|several|many} classical and quantum computational protocols to unveil the molecular mechanism of FAD protonation in E. coli…
The introduction of fluoroalkylthioether groups has attracted the attention of the drug discovery community given the special physicochemical and pharmacokinetic features they confer to bioactive compounds. Synthetic advances in the…
AbstractSafety evaluation for medical devices includes the toxicity assessment of chemicals used in device manufacturing, cleansing and/or sterilization that may leach into a patient. According to international standards on biocompatibility…
Lewis bases are well known to stabilize electron-deficient species. We demonstrate herein that the redox property of a monocoordinated aluminylene 1 featuring only four valence electrons for the shell of…