Article ID Journal Published Year Pages File Type
5383739 Chemical Physics Letters 2011 4 Pages PDF
Abstract
► NH3O is only 3.5 kcal mol−1 less stable than NH2OH in aqueous solution. ► PCM (UAHF, UA0, UAKS) fail to predict the stability of NH3O. ► The new SMD model also fail to predict the stability of NH3O. ► SM8, SM8AD and PCM (scale factor 1.00) provide the correct stability of NH3O.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Stability of hydroxylamine isomers in aqueous solution: Ab initio study using continuum, cluster-continuum and Shells Theory of Solvation
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