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Computational studies on the gas phase reaction of methylenimine (CH(2)NH) with water molecules
In this work, we used quantum chemical methods and chemical kinetic models to answer the question of whether or not formaldehyde (CH(2)O) and ammonia (NH(3)) can be produced from gas phase hydration of methylenimine (CH(2)NH). The potential energy surfaces (PESs) of CH(2)NH + H(2)O → CH(2)O + NH(3)...
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| I publikationen: | Sci Rep |
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| Huvudupphovsman: | |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
Nature Publishing Group UK
2020
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7335075/ https://ncbi.nlm.nih.gov/pubmed/32620911 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-67515-3 |
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