Results 141 to 150 of about 1,954,300 (257)
The quarterly newsletter, The Ninth Flyer, published by the Ninth Air Force Association, Inc.
9th Air Force Association
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Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green +15 more
wiley +1 more source
Machine Learning-Driven Refinement of Reactive Force Fields via Hierarchical "Center-Environment" Features for Energetic Molecular Crystals. [PDF]
He Q, Wang P, He X, Zhang J, Liu Y.
europepmc +1 more source
The quarterly newsletter, The Ninth Flyer, published by the Ninth Air Force Association, Inc.
9th Air Force Association
core
Electrolyte Additive Strategies in Aqueous Zn‐Ion Batteries: Recent Advances and Prospects
This article provides a comprehensive overview of the current status and future development directions of AZIBs electrolyte additives in three aspects: stabilizing zinc anodes (uniform deposition, inhibition of dendritic crystals), protecting cathodes (structural stability, inhibition of dissolution), and enhancing electrolyte stability (wider ...
Yuanze Yu +7 more
wiley +1 more source
A Coarse-Grained Molecular Dynamics Model for Analysis of Mesoscale Carbon Nanothread Structures. [PDF]
Cheng J +7 more
europepmc +1 more source
An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics. [PDF]
Pyzer-Knapp EO, Thompson HP, Day GM.
europepmc +1 more source
The quarterly newsletter, The Ninth Flyer, published by the Ninth Air Force Association, Inc.
9th Air Force Association
core
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
The quarterly newsletter, The Ninth Flyer, published by the Ninth Air Force Association, Inc.
9th Air Force Association
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