Results 171 to 180 of about 85,673 (225)
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced Functional Materials, EarlyView.An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Combinatorial Aspects of $O(1)$ Loop Models (Combinatorial Representation Theory and Related Topics)
Combinatorial Aspects of $O(1)$ Loop Models (Combinatorial Representation Theory and Related Topics)openaire
Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights
Advanced Functional Materials, EarlyView.The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo +9 more
wiley +1 more source
The quantum gravity seeds for laws of nature. [PDF]
Eur J Philos SciLam V, Oriti D.
europepmc +1 more source
Structural Porosity and Low Mineral Density in Enamel Rods Drive Molar Incisor Hypomineralisation
Advanced Functional Materials, EarlyView.This study uses advanced imaging modalities on multiple length scales to show that molar‐incisor hypomineralization does not present as a locally homogeneous pathology. Instead, microstructural defects, characterized through non‐mineralized, protein‐rich sheaths and an altered mineral structure in between prism rods, resulting in local differences in ...
Katharina Jähn‐Rickert +14 more
wiley +1 more source
The ranges of Radon transform(Combinatorial Aspects in Representation Theory and Geometry)
The ranges of Radon transform(Combinatorial Aspects in Representation Theory and Geometry)openaire
An Extended Epistemic Framework Beyond Probability for Quantum Information Processing with Applications in Security, Artificial Intelligence, and Financial Computing. [PDF]
Entropy (Basel)Iovane G.
europepmc +1 more source
Advanced Functional Materials, EarlyView.PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy +3 more
wiley +1 more source
Adapted Sequence for Polyhedral Realization of Crystal Bases (Representation Theory and its Combinatorial Aspects)openaire