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Bayesian active learning of interatomic force field for molecular dynamics simulation of Pt/Ag(111)

Chemexpress November 19, 2024 0 Comments

Force field is a central requirement in molecular dynamics (MD) simulation for accurate description of the potential energy landscape and the time evolution of individual atomic motions. Most energy models…

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Discovery of Innovative Polymers for Next-Generation Gas-Separation Membranes using Interpretable Machine Learning

Chemexpress November 19, 2024 0 Comments

Polymer membranes perform innumerable separations with far-reaching environmentalimplications. Despite decades of research on membrane technologies, design of new membranematerials remains a largely Edisonian process. To address this shortcoming, we demonstrate…

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Out with Acetonitrile: Water-assisted Accelerated-Aging Synthesis of CuI-Pyrazine Hybrid Materials

Chemexpress November 19, 2024 0 Comments

CuI and pyrazine form three hybrid materials, (Yellow), (Orange), and (Red). In this work, Red was prepared using a green synthetic method, water-assisted accelerated-aging synthesis, for the first time. The…

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Balancing high energy density and chemical stability in redox flow batteries with symmetric tetrazines

Chemexpress November 18, 2024 0 Comments

Nonaqueous redox flow batteries are a promising technology for grid-scale energy storage, however, their commercial success relies on identifying redox active materials that exhibit extreme potentials, high solubilities in all…

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Light-driven charge accumulation of a molecular Cu(I) {complex|complicated} for storage of photoredox equivalents

Chemexpress November 18, 2024 0 Comments

The diurnal day/night cycle is presently of {great|fantastic|excellent|wonderful|good|terrific} interest for harvesting solar {energy|power} aimed at rendering {suitable|appropriate} {energy|power} storage schemes. To this {end|finish} we present a noble-metal {free|totally free|free of…

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Uncategorized

3-Chlorosalicylic Acid (CAS 1829-32-9)

Uncategorized

3-(chloromethyl)-2-formyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile

Uncategorized

(3-Chloro-phenylamino)-phenyl-acetic acid

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3-chloro-6-isopropyl-1-benzothiophene-2-carboxylic acid

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