High-efficiency stretchable light-emitting polymers from thermally activated delayed fluorescence
Stretchable light-emitting materials are the key components for realizing skin-like displays
and optical biostimulation. All the stretchable emitters reported to date, to the best of our …
and optical biostimulation. All the stretchable emitters reported to date, to the best of our …
[HTML][HTML] Micro-and nanoplastics breach the blood–brain barrier (BBB): Biomolecular corona's role revealed
Humans are continuously exposed to polymeric materials such as in textiles, car tires and
packaging. Unfortunately, their break down products pollute our environment, leading to …
packaging. Unfortunately, their break down products pollute our environment, leading to …
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are
potentially scalable, easy to prepare and functionalize for many applications ranging from …
potentially scalable, easy to prepare and functionalize for many applications ranging from …
Novel Bromo and methoxy substituted Schiff base complexes of Mn (II), Fe (III), and Cr (III) for anticancer, antimicrobial, docking, and ADMET studies
LH Abdel-Rahman, AA Abdelghani, AA AlObaid… - Scientific reports, 2023 - nature.com
In this study, four new Mn (II), Fe (III), and Cr (III) complexes with two Schiff base ligands
namely, 4-bromo-2-[(E)-{[4-(2-hydroxyethyl) phenyl] imino} methyl] phenol (HL1) and 2-[(E) …
namely, 4-bromo-2-[(E)-{[4-(2-hydroxyethyl) phenyl] imino} methyl] phenol (HL1) and 2-[(E) …
Elucidating the Competitive Adsorption of H2O and CO2 in CALF-20: New Insights for Enhanced Carbon Capture Metal–Organic Frameworks
In light of the pressing need for efficient carbon capture solutions, our study investigates the
simultaneous adsorption of water (H2O) and carbon dioxide (CO2) as a function of relative …
simultaneous adsorption of water (H2O) and carbon dioxide (CO2) as a function of relative …
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
MD Hanwell, DE Curtis, DC Lonie… - Journal of …, 2012 - Springer
Abstract Background The Avogadro project has developed an advanced molecule editor
and visualizer designed for cross-platform use in computational chemistry, molecular …
and visualizer designed for cross-platform use in computational chemistry, molecular …
Power generation by reverse electrodialysis in a single-layer nanoporous membrane made from core–rim polycyclic aromatic hydrocarbons
Nanoporous graphene and related atomically thin layered materials are promising
candidates in reverse electrodialysis research owing to their remarkable ionic conductivity …
candidates in reverse electrodialysis research owing to their remarkable ionic conductivity …
PACKMOL: A package for building initial configurations for molecular dynamics simulations
Adequate initial configurations for molecular dynamics simulations consist of arrangements
of molecules distributed in space in such a way to approximately represent the system's …
of molecules distributed in space in such a way to approximately represent the system's …
Reliable viscosity calculation from equilibrium molecular dynamics simulations: A time decomposition method
Equilibrium molecular dynamics is often used in conjunction with a Green–Kubo integral of
the pressure tensor autocorrelation function to compute the shear viscosity of fluids. This …
the pressure tensor autocorrelation function to compute the shear viscosity of fluids. This …
[图书][B] Practical augmented Lagrangian methods for constrained optimization
EG Birgin, JM Martínez - 2014 - SIAM
This book is about the Augmented Lagrangian method, a popular technique for solving
constrained optimization problems. It is mainly dedicated to engineers, chemists, physicists …
constrained optimization problems. It is mainly dedicated to engineers, chemists, physicists …