Results 221 to 230 of about 11,858,229 (275)

Quantum state-to-state reaction dynamics of F + HD → HF + D via a single partial wave shape resonance state. [PDF]

Nat Commun
Yuan D, Huang J, Li S, Chen W, Luo C, Tan Y, Lu Z, Shu Y, Zhang Y, Wang T, Fu B, Wang X, Zhang DH, Yang X.   +13 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Laser-Induced Thermal Decomposition of Uranium Single-Source Precursors to Form Uranium Ceramics. [PDF]

Inorg Chem
Kelly SN, Swift AJ, Ferrier MG, Martin AA, Jeffries JR, Arnold J, Childs BC.   +6 more
europepmc   +1 more source

Microstructure Reconstruction in Battery Electrodes Using Machine Learning Based on Low‐Voltage Focused Ion Beam–Scanning Electron Microscopy Tomography Images

Advanced Engineering Materials, EarlyView.
Low‐voltage FIB‐SEM tomography combined with a image preprocessing pipeline improves phase contrast and enables reliable machine‐learning segmentation of conductive networks in lithium‐ion battery electrodes. Structural descriptors are extracted from segmented images, done semimanually and automated, and compared.
Lisa Beran, Vincent Nebel, Dominik Perius, Kshitij Kumar, Yannis Heim, Laura Bies, Tobias Kraus   +6 more
wiley   +1 more source

S-Ketamine Preserves Oxidative Metabolism and Reduces Metabolic Stress During Neuronal Hyperexcitability. [PDF]

Int J Mol Sci
Riepe G, Schunack J, Rösner J, Wallach I, Berndt N, Liotta A.   +5 more
europepmc   +1 more source

Distinct metabolic phenotypes in adolescents with obesity identified by unsupervised learning: associations with insulin resistance and resting energy expenditure. [PDF]

Front Endocrinol (Lausanne)
Sonza A, Tamini S, Bondesan A, Caroli D, Abbruzzese L, Sartorio A.   +5 more
europepmc   +1 more source

First-principles study of a penta-PdO₂ monolayer: a 2D material for selective detection of toxic gases. [PDF]

RSC Adv
Akter M, Talha A, Nawshin N, Ahmed MT, Roy D, Roman AA.   +5 more
europepmc   +1 more source

Methanol Partial Oxidation on Cu(111) and PtCu(111) Single-Atom Alloy Surfaces: Effect of Surface Oxygen Coverage on Selectivity. [PDF]

J Phys Chem C Nanomater Interfaces
Lal V, Rickman M, McEwen JS, Waluyo I, Sykes ECH.   +4 more
europepmc   +1 more source

CO and NO Detection by MN₄@SWCNT in Background Gases: Multiscale DFT, Microkinetic, Boltzmann Transport Study. [PDF]

J Comput Chem
Saputro AG, Puspitasari I, Setianto D, Naufal FD, Shakir I, Hsiao CS, Rusydi F.   +6 more
europepmc   +1 more source