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Structural engineering of ZnO–MgO intermediates for functional ceramics
ZnO–MgO nanopowders containing engineered structural defects were synthesized by modified Pechini method. The crystal structure, morphology and the...
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Recent advances in structural color materials based on flexible cellulose nanocrystals
Cellulose nanocrystals (CNCs) are nanoscale renewable resources derived from lignocellulosic materials. They are known for their good optical...
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Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach
ContextHydrogen bonds critically influence the structure and properties of both organic molecules and biomolecules, as well as supramolecular...
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Structural elucidation, DFT study, molecular docking, and biological studies of ruthenium polypyridyl mercaptopurine complexes
Three ruthenium polypyridyl complexes of the type [Ru(N^N) 2 (6MP)](PF 6 ) where 6MP = 6-mercaptopurine monohydrate; and N^N = 2,2′-bipyridine (bpy, 1 ),...
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Pressure effects on metal/covalent-organic frameworks: structural and optical properties
Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) with highly ordered porous structure, tunable bandgap, large specific surface...
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Structural Stability Analysis of a High Power PEMFC Stack
An automobile fuel cell stack mounted horizontally will be subjected to a large impact in the direction parallel with the cells. This may cause...
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Effect of Annealing Temperature on Structural, Morphological and Optical Properties of CdZnTe Thin Films
The study examines CdZnTe films produced on nickel substrates using a chemical bath process in non-aqueous medium, each with a different annealing...
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Influence of a Directed Electric Field on the Features of Structural Formations in Nitrile-Butadiene Rubber Films
AbstractThe influence of the direction of a constant electric field on the properties and structural features of thin films of nitrile-butadiene...
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Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R
Acquired drug resistance poses a challenge for single-target FGFR inhibitors, leading to the development of dual- or multi-target FGFR inhibitors....
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Zn2SnO4 and Zn2TiO4 inverse spinels: influence of the temperature on structural, microstructural and luminescent properties
AbstractDespite different works deals with the synthesis of Zn 2 SnO 4 and Zn 2 TiO 4 spinels, no aspect of their thermal and structural evolution upon...
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Molecular Crystal Calculation Prospects for Structural Phase Transitions
To establish the theory of soft crystals, computational chemistry must be applied to analyze the structural phase transitions of molecular crystals...
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Direct fabrication of template-free beads-on-a-string three-dimensional structural color yarn
The application of dye-free bionic materials in imparting distinctive structural colors to textiles has received increasing attention in recent...
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Periodic DFT study of structural transformations of cocrystal CL-20/MMI under high pressure
ContextThe crystal and molecular structure, electronic properties, optical parameters, and elastic properties of a 1:2 hexanitrohexaazaisowurtzitane...
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Structural Aspects of Layered Double Hydroxides
Layered double hydroxides (LDHs) have been known for a considerable time and have been widely studied. The basic features of their structure,...
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Optical control of ultrafast structural dynamics in a fluorescent protein
The photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from...
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Aging-Induced Changes in Pop**, Structural, Functional, Thermal, and Crystalline Properties of Roasted Makhana Seeds
The effect of storage duration on changes in the pop** behavior due to structural, physico-chemical, and crystalline property alterations of raw,...
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Study of Structural, Elastic, and Mechanical Properties of LiNiPO4 under Pressure by Ab-Initio Method
AbstractThe structural, elastic, and mechanical properties of the LiNiPO 4 with an orthorhombic-type structure under pressure were investigated using...
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Structural change and redispersion characteristic of dried lignin-containing cellulose nanofibril and its reinforcement in PVA nanocomposite film
Having the advantages of a higher yield, lower cost and less environmental impact, lignin-containing cellulose nanofibrils (LCNFs) obtained by...
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Alkali Do** Nickel Oxide Thin Films Using Sol-Gel Spin Coated and Density Functional Theory: Structural and Physical Properties
AbstractExperiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, optical...
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Physical and Structural Properties of Yttrium Dopped Multicomponent Bismuth Silicate Glasses
Unique Bismuth silicate glasses, denoted as BBSVY, were meticulously prepared using the conformist melt-quench technique. These extraordinary glass...