Chemically Specific Systematic Coarse-Grained Polymer Model with Both Consistently Structural and Dynamical Properties. [PDF]
Zhang XZ, Shi R, Lu ZY, Qian HJ.
europepmc +1 more source
How (not) to Cage an Electron: The Perfluoro Cage Effect as an Extrinsic Molecular Property
A rigorous definition within Kohn–Sham density functional theory is presented for the notion of an caged electron inside perfluorinated fullerenes as radical anions. ABSTRACT The notion of a (molecular) electron cage was coined for the unique hosting capacity of perfluorocubane, suggesting the “encapsulation of an electron” within the highly symmetric ...
Andreas Riedmiller +2 more
wiley +1 more source
GAD-PVI: A General Accelerated Dynamic-Weight Particle-Based Variational Inference Framework. [PDF]
Wang F, Zhu H, Zhang C, Zhao H, Qian H.
europepmc +1 more source
To address the limitations of conventional trial‐and‐error approaches, perovskite solar cell research is shifting toward a new paradigm that utilizes datasets and AI. This review examines the fundamental elements of data‐driven and AI‐integrated research: data platforms, AI methodologies, and self‐driving laboratories, demonstrating how their ...
Jaehee Lee +5 more
wiley +1 more source
Logistic-Beta Processes for Dependent Random Probabilities with Beta Marginals. [PDF]
Lee CJ, Zito A, Sang H, Dunson DB.
europepmc +1 more source
Turmeric and curcumin: From traditional medicine to modern therapeutic applications
Abstract Turmeric (Curcuma longa), a medicinal plant, has maintained its cultural and therapeutic significance over centuries in Ayurveda, Unani, and Traditional Chinese Medicine. However, novel formulations and delivery methods are being developed to address these challenges.
Azma Nadeem +7 more
wiley +1 more source
3D WCSPH modelling of landslide-water dynamics during 1963 Vajont disaster. [PDF]
Manenti S, Salis N, Todeschini S.
europepmc +1 more source
Wheat flour particle size: Influence of mill design and effects on quality and performance
Abstract Among the various characteristics of wheat (Triticum aestivum) flour, particle size is of paramount importance globally. The industrial process of separating the three main components (endosperm, bran, and germ) must ensure that the desired quality is delivered to customers through a progressive reduction in the size of the endosperm until the
Ricardo Barroso Lopes +3 more
wiley +1 more source
Multi-Method Integration for Spectral Band Importance Analysis in Coal Characterization. [PDF]
Zhang J, Zhao T, Dou Y, Liu Z, Zhou Y.
europepmc +1 more source
SIMULATION OF UPSETTING PROCESS BY REPRODUCING KERNEL PARTICLE METHOD
openaire +1 more source

