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Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113442
Abstract: Abstract The formation of the industrially important vinyl isocyanide (H2C CHNC) from acetylene and the hazardous hydrogen cyanide is investigated over Pt3 cluster in its free and carbon-supported forms using density functional method. The reaction…
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Keywords:
platinum;
hydrogen cyanide;
carbon;
carbon supported ... See more keywords
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Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.06.059
Abstract: Abstract In this paper, the adsorption of Hydrogen cyanide (HCN) molecules on metal-doped boron nitride nanotube (BNNT) is studied by using density functional theory (DFT) method. Our calculations indicate that the adsorption energy corresponding to…
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Keywords:
adsorption hydrogen;
metal;
doped boron;
adsorption ... See more keywords
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Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c11857
Abstract: The search for prebiotic chemical pathways to biologically relevant molecules is a long-standing puzzle that has generated a menagerie of competing hypotheses with limited experimental prospects for falsification. However, the advent of computational network exploration…
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Keywords:
hydrogen cyanide;
thermally accessible;
hydrogen;
prebiotic pathways ... See more keywords
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Published in 2025 at "Synthesis"
DOI: 10.1055/a-2705-4467
Abstract: This report describes a scope exploration of a rarely used access to piperazin-2-ones from carbonyls, hydrogen cyanide (generated in situ from acetic acid and potassium cyanide), and ethylenediamine as well as N- or C-substituted alkyl…
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Keywords:
cyanide;
piperazin ones;
hydrogen cyanide;
access piperazin ... See more keywords
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Published in 2022 at "mBio"
DOI: 10.1128/mbio.02154-22
Abstract: Airborne volatile compounds produced by bacteria are often only considered attractive or repulsive scents, but they also directly contribute to bacterial physiology. Here, we showed that volatile hydrogen cyanide (HCN) released by a wide range…
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Keywords:
hydrogen cyanide;
pseudomonas aeruginosa;
growth;
lung ... See more keywords
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Published in 2024 at "Agronomy"
DOI: 10.3390/agronomy14122765
Abstract: Low hydrogen cyanide (HCN) concentration is a high-priority trait for cassava varieties targeting their fresh and dry product profiles. To be acceptable, varieties bred and developed for these market segments must meet international safety standards…
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Keywords:
cassava;
hydrogen cyanide;
kasp markers;
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Published in 2025 at "Catalysts"
DOI: 10.3390/catal15111004
Abstract: We investigated the ammoxidation of methanol for the production of hydrogen cyanide. Silica-supported FeMo oxide catalysts achieved above 98% conversion of methanol, with more than 90% selectivity for the ammoxidation reaction product, HCN. The oxidation…
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Keywords:
ammoxidation methanol;
cyanide silica;
hydrogen cyanide;
ammoxidation ... See more keywords
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Published in 2022 at "Toxics"
DOI: 10.3390/toxics10110707
Abstract: Postmortem carbon monoxide (CO) and hydrogen cyanide (HCN) diffusion under ambient conditions was assessed in a human cadaver model. The main objective of this study was to determine whether the postmortem diffusion of HCN and…
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Keywords:
hydrogen cyanide;
diffusion;
layer;
monoxide hydrogen ... See more keywords