Results 121 to 130 of about 598,727 (266)
Exploring C-H∙∙∙metalloaromatic interactions [PDF]
, 2017 The C-H···metalloaromatic interaction is an of intermolecular contact which is less explored compared to the common secondary interactions such as hydrogen bonding and π··· π stacking.
Otero-de-la-Roza, Alberto +3 more
core
Aliphatic C–H/π and Heteroatom/π Interactions in N-Aryl-3,4-(9′,10′-dihydroanthracene-9′,10′-diyl)succinimides [PDF]
, 2014 A series of N-aryl-3,4-(9′,10′-dihydroanthracene-9′, 10′-diyl)succinimides have been synthesized as model compounds to study the interaction of an aromatic π system with aliphatic H atoms and heteroatoms such as oxygen, sulfur, and fluorine.
F. Cozzi, L. Raimondi, M. Benaglia
core +1 more source
Advanced Engineering Materials, EarlyView.A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares +3 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.Phase‐field simulations coupled with dislocation‐density‐based crystal plasticity modeling reproduce γ′ rafting behavior in single‐crystal Ni‐based superalloys under varied loading conditions. The model captures both macroscopic creep and microscopic morphology evolution, with results matching high‐temperature creep experiments.
Micheal Younan +5 more
wiley +1 more source
Acta Crystallographica Section E: Crystallographic CommunicationsThe asymmetric unit of the title compound, C23H19NO2S, contains two molecules that differ in the conformation of the two carboxamide moieties. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into chains propagating parallel to ...
Khatira N. Aliyeva +6 more
doaj +1 more source
Copper(i) complexes: intramolecular and intermolecular arene-c– h···π(quasi-chelate ring) interactions [PDF]
, 2017 A series of bis(phosphane)copper(I) thiocarbamates, namely (Ph3P)2Cu[ROC(=S)N(H)Ph]Cl, were prepared in response to the promising biological properties exhibited by the related phosphanegold(I) analogues.
Ferreira, M. A. B +3 more
core
Karl Popper and the Mechanisms of Hydrogen Embrittlement
Advanced Engineering Materials, EarlyView.Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley +1 more source
C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor [PDF]
, 2004 Specific C − H···π interactions with the π-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the CSD and statistical analysis of geometrical parameters for intramolecular and intermolecular ...
Medaković, Vesna B. +2 more
core
Multimodal Data‐Driven Microstructure Characterization
Advanced Engineering Materials, EarlyView.A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang +4 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source