Results 101 to 110 of about 73,941 (290)

Mechanism of Selective Ammoxidation of Propene to Acrylonitrile on Bismuth Molybdates from Quantum Mechanical Calculations [PDF]

open access: yes, 2010
In order to understand the mechanism for selective ammoxidation of propene to acrylonitrile by bismuth molybdates, we report quantum mechanical studies (using the B3LYP flavor of density functional theory) for the various steps involved in converting the
Goddard, William A. III   +2 more
core   +2 more sources

Polymer‐Crosslinking System‐Filler Interactions in Polychloroprene Adhesives: Experimental and Molecular Modeling Insights

open access: yesJournal of Applied Polymer Science, EarlyView.
The use of polychloroprene is common in elastomeric adhesives. This study highlights the possible substitution of zinc oxide curing systems to a less hazardous metal complex, also evaluating the changes that higher surface area fillers can bring to the adhesive.
Gabriel Bachega Rosa   +3 more
wiley   +1 more source

Effect of the Nature of Surfactant on the Reactivity of C,N-diphenylnitrone towards Acrylonitrile in Different Microemulsions Systems

open access: yesChemistry Journal of Moldova: General, Industrial and Ecological Chemistry, 2018
The present work provides an insight into the effect of the nature of surfactant (cationic, anionic), a component of water- and oil-borne microemulsions, on the reaction rate of 1,3-dipolar cycloaddition of C,N-diphenylnitrone with acrylonitrile.
Kahina Hamza   +5 more
doaj   +1 more source

Partitioning of the molecular density matrix over atoms and bonds

open access: yes, 2010
A double-index atomic partitioning of the molecular first-order density matrix is proposed. Contributions diagonal in the atomic indices correspond to atomic density matrices, whereas off-diagonal contributions carry information about the bonds.
Ayers, Paul W.   +4 more
core   +1 more source

The Mechanical Behavior of Dual TPU/Nylon 3D Printed Parts

open access: yesJournal of Applied Polymer Science, EarlyView.
Graphical abstract illustrating dual‐material fused filament fabrication (FFF) of TPU and nylon, highlighting different material configurations (nylon outer/TPU core, TPU outer/nylon core, and alternating layers), the role of infill geometry in load transfer and ductility, and the resulting tensile and flexural performance trade‐offs between strength ...
Liam O'Connor
wiley   +1 more source

Glyoxylic‐Acetal‐Based Gel‐Polymer Electrolytes for Lithium‐Ion Batteries

open access: yesBatteries &Supercaps, Volume 8, Issue 3, March 2025.
A safe electrolyte based on tetraethoxyglyoxal (LE) is combined with a methacrylate polymer matrix. The resulting gel‐polymer electrolyte (GPE) exhibits an increased flash point, suitable ionic conductivity, and a stable performance in lithium‐ion battery cells.
Christian Leibing   +4 more
wiley   +1 more source

A Cobalt-Containing Eukaryotic Nitrile Hydratase [PDF]

open access: yes, 2017
Nitrile hydratase (NHase), an industrially important enzyme that catalyzes the hydration of nitriles to their corresponding amides, has only been characterized from prokaryotic microbes. The putative NHase from the eukaryotic unicellular choanoflagellate
Bennett, Brian   +3 more
core   +1 more source

Process development priorities for scaling up direct microbial conversion of sugars into value‐added biochemicals

open access: yesBiofuels, Bioproducts and Biorefining, EarlyView.
Abstract The study identified process development priorities toward the feasible production of five value‐added biochemicals in a sugarcane biorefinery based on achievable bioconversion performances. Multiple process scenarios using A‐molasses as feedstock were simulated in Aspen Plus® via direct microbial conversions.
Manasseh K. Sikazwe   +2 more
wiley   +1 more source

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