A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

T Lu - The Journal of Chemical Physics, 2024 - pubs.aip.org
Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

Noncovalent interactions in organometallic chemistry: from cohesion to reactivity, a new chapter

Y Cornaton, JP Djukic - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus Noncovalent interactions (NCIs) have long interested a vast community of
chemists who investigated their “canonical categories” derived from descriptive …

Applying a novel advanced oxidation process of activated peracetic acid by CoFe2O4 to efficiently degrade sulfamethoxazole

J Wang, B ** polymer‐based piezoelectric materials with multistimulus responsiveness is
highly desirable for advancing multi‐source energy harvesting in wearable electronics …

A new look at the chalcogen bond: π-hole-based chalcogen (Se, Te) bonding which does not include a σ-hole interaction

EA Katlenok, ML Kuznetsov, NA Semenov… - Inorganic Chemistry …, 2023 - pubs.rsc.org
The solid-state structures of co-crystals of chalcogenadiazoles (ChDAs) with planar half-
lantern PtII2 and mononuclear PtII complexes exhibit short Ch⋯ PtII (Ch= Se, Te) contacts …

Mild and Efficient Method for the In Situ Preparation of High‐Quality MXene Materials Enabled by Hexafluoro Complex Anion Contained Salts Etching

P Liu, R Pan, B Li, Z Su, B Lin… - Advanced Functional …, 2024 - Wiley Online Library
MXene is a promising two‐dimensional (2D) material for energy storage applications owing
to its exceptional conductivity and controllable surface chemistry. Currently, aqueous etching …

Advancing understanding of polymer-based superplasticizers for diverse concrete applications: Insights from quantum chemistry and nanoscale adsorption behavior

Q Liu, C Liu, M Wang, X Ji, F Hong, D Hou… - Cement and Concrete …, 2024 - Elsevier
Polycarboxylate superplasticizers (PCEs) are the most commonly used admixture in the
concrete industry. Their premise for work is often considered to be the adsorption of the …

Molecular dynamics study of droplet electrocoalescence in the oil phase and the gas phase

Z Wang, N Li, Z Sun, X Wang, Q Chen, W Liu… - Separation and …, 2021 - Elsevier
Under a uniform electric field, water droplets in a water-in-oil (W/O) emulsion approach and
coalesce by dipole–dipole forces, which fundamentally affect the efficiency of electric …