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Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution
A joint QM/MM and ab initio study on the decomposition of urea in the gas phase and in aqueous solution is reported. Numerous possible mechanisms of intramolecular decomposition and hydrolysis have been explored; intramolecular NH(3)-elimination assisted by a water molecule is found to have the lowe...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2007
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2995377/ https://ncbi.nlm.nih.gov/pubmed/17249815 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp066478s |
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