| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386561 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
Both microscopic and macroscopic pKas involving hydroxylamine in aqueous solution have been computed using the compound method CBS-QB3 jointly with the CPCM solvation model. Results support an amount of ammonia oxide, an elusive species, large enough to play a role in kinetic processes.
Related Topics
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Authors
M.I. Fernández, M. Canle, M.V. GarcÃa, J.A. Santaballa,