Results 131 to 140 of about 1,206,495 (293)
Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf
Acta Crystallographica Section E Crystallographic CommunicationsIn the title compound, (2-methylidene-1,2-dihydropyridinium-κN)tris(tetrahydrofuran-κO)lithium, [Li(C6H6N)(C4H8O)3], the lithium ion adopts a distorted LiNO3 tetrahedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. A methylene group of one of the thf ligands is
Tristan Mairath +2 more
openaire +3 more sources
Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries
EcoEnergy, EarlyView.Multiscale analyses are adopted to demystify the interaction and regularize the mechanism of ligand regulation for solvation by the methods of quantum chemistry, molecular dynamics, and wavefunction analyses. ABSTRACT Transition‐metal‐based aqueous batteries, particularly iron and zinc‐based systems, have emerged as promising candidates for energy ...
Yuxi Song +7 more
wiley +1 more source
Theoretical studies on Copper(II) complexes based on different carboxylate ligands: Hirshfeld surface analysis and molecular docking studies [PDF]
, 2023 Muhammad Nadeem Akhtar +8 more
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Mercury(II)‐Triggered Oxidase‐Like Activity of CoSe2@Au NPs for Dual‐Mode Detection in Food
Food Frontiers, EarlyView.ABSTRACT Owing to the strong and selective coordination with Hg2+, the high‐stable gold‐anchored cobalt selenide nanomaterials (CoSe2@Au NPs) were prepared via multi‐step wet chemical synthesis method for the dual‐mode sensing of Hg2+ in food samples. The interplay between the 3d orbital of Co and the 6s orbital of Hg can enhance the binding ability of
Jingkang Wang +6 more
wiley +1 more source
, 2013 Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of silicon - silicene - with B, N, Al or P atoms.
Partoens, Bart +3 more
core +1 more source
Rare Metals, EarlyView.ABSTRACT Organic‐inorganic hybrid perovskites (OIHPs) with white‐light emission have significant potential in solid‐state lighting and display due to the designable structure and excellent luminescent properties. However, OIHPs are prone to damage during bending due to the brittleness of crystals, which limits their application in the field of flexible
Jinyu Xu +8 more
wiley +1 more source
Small, EarlyView.A thermally robust, hierarchically porous polyimide aerogel is engineered via solvent‐polymer interaction tuning to enable stable laser‐induced graphitization. The resulting graphene‐integrated structure exhibits low resistivity, excellent dielectric performance, and thermal insulation, supporting applications in flexible electronics, thermal ...
Tingting Wu +14 more
wiley +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2019 The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions.
Enis Nadia Md Yusof +4 more
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Acta Crystallographica Section E: Crystallographic Communications, 2019 The bicyclic imidazo[1,2-a]pyridine core of the title compound, C19H19N3, is relatively planar with an r.m.s. deviation of 0.040 Å. The phenyl ring is inclined to the mean plane of the imidazo[1,2-a]pyridine unit by 18.2 (1)°.
Zahira Tber +7 more
doaj +1 more source