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Combined kinetic, and theoretical approaches for the study of the SEAr reactions of 2-(2′,4′,6′-trinitrophenyl)-4,6-dinitrobenzotriazole 1-oxide with 5-R-substituted indoles in acetonitrile
We present a kinetic and theoretical study of electrophilic aromatic substitution (S E Ar) involving...
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Kinetics and Mechanism of the Reaction of Triphenylphosphine with Methyl Vinyl Ketone
AbstractKinetics of the reaction of triphenylphosphine with methyl vinyl ketone has been studied using the stopped flow technique. The experimental...
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Solvent effect, quantification and correlation analysis of the nucleophilicities of cyclic secondary amines
Kinetics of the S N Ar reactions of four 7-L-4-nitrobenzofurazans 1a-d (L = Cl, OC 6 H 5 , OCH 3 , Im + , Cl − ) with three cyclic secondary amines 2a-c in...
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Quantifying the contribution of fines production during refining to the resulting paper strength
Pulp refining is an essential process step prior to paper production. The contribution of fines production during refining to the resulting paper...
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The influence of electrostatic interactions in polyelectrolyte complexes on water retention values of cellulose nanofiber slurries
Polyelectrolyte complexes (PECs) are used as drainage and retention aids to improve dewatering of cellulose fibers as they form networks during paper...
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Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
ContextUnderstanding and predicting the nucleophilic reactivity are paramount in elucidating organic chemical reactions and designing new synthetic...
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Fines mobility and distribution in streaming fibre networks: experimental evidence and numerical modeling
The motion of flocculated fibres in a streaming suspension is governed by the balance of the network strength and hydrodynamic forces. With...
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A theoretical study on aza-Michael additions
In this paper, we investigate aza-Michael additions, which are key-reactions in organic synthesis, from the theoretical point of view on a...
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Enhanced Storage Resistance of Mulberries Using Laminated Cellulose Nanocrystals/Chitosan Composite Coatings
Fresh mulberry is a soft and juicy fruit with no protective layer on the skin, limiting its storage and transportation. Nanocellulose (NCC) and...
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How the concept of chemical affinity evolved and how it contributed to chemical science
This historiographic paper traces the evolution of the concept of chemical affinity from its antique origins until the end of the twentieth century....
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Synthesis of Eu-doped K0.5Na0.5NbO3 ceramics and their luminescent and dielectric properties
K 0.5 Na 0.5 NbO 3 :xEu sol–gel powders and bulk samples were synthesized by means of a modified sol–gel method. Two types of samples were obtained via...
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c-PCBSD, a cross-linked fullerene derivative, as a cathodic interlayer in wide-band gap perovskite solar cells
Wide-band gap absorber materials are prerequisites for well-performing tandem photovoltaic devices. Especially, perovskites received huge attention...
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Study on transport of molecules in gel by surface-enhanced Raman spectroscopy
Surface-enhanced Raman spectroscopy (SERS)-based biosensors have recently been extensively developed because of their high sensitivity and...
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Inline monitoring of high ammonia concentrations in methanol with a customized 3D printed flow cell
A novel system for inline monitoring of ammonia (NH 3 ) suitable for methanol is presented. An optical ammonia sensor with a response time t 90 of 33 s...
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Heptagonal intramolecular-lock strategy enables high-performance thermally activated delayed fluorescence emitters
The development of highly efficient thermally activated delayed fluorescence (TADF) emitters is persistently pursued for the application of organic...
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Exploring the Design and Spectroscopic Characteristics of PVA/Si3N4/SiBr4 New Structures for Electronics and Optics Devices
This work aims to design of silicon nitride (Si 3 N 4 ) and silicon bromide (SiBr 4 ) doped polyvinyl alcohol (PVA) as promising semiconductors materials...
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AI for organic and polymer synthesis
Recent years have witnessed the transformative impact from the integration of artificial intelligence with organic and polymer synthesis. This...
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QSAR and Molecular Modeling Studiesof Factor Xa and Thrombin Inhibitors
Thrombotic disorders remain the major cause of death and disability in Western society. Many approaches to develop antithrombotic drugs that...
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Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
In this paper, we assess the ability of various intrinsic molecular and atomic descriptors, grounded in the conceptual density functional theory and...
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Chiral multiple-resonance thermally activated delayed fluorescence materials based on chiral spiro-axis skeleton for efficient circularly polarized electroluminescence
Chiral luminescence materials have potential applications in the field of three-dimensional displays due to their circularly polarized luminescence...