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• W2001402037 endingPage "10235" @default.
• W2001402037 startingPage "10231" @default.
• W2001402037 abstract "Simple hydrides of compounds containing N, S, and O are of significant interest due to the role that they play in atmospheric chemistry and in biological pathways. There is a lack of quantitative thermodynamic data on these compounds. We have used a reliable computational chemistry approach based on valence CCSD(T) calculations extrapolated to the complete basis set limit with additional corrections to predict the heats of formation and bond dissociation energies of such compounds. The results show that compounds with the ability of the central S atom to effectively expand its valency leads to more stable isomers and, as a consequence, that those with the NSO structural motif are thermochemically more stable than those with the SNO motif. In addition, SO bonds are preferred over NO bonds." @default.
• W2001402037 created "2016-06-24" @default.
• W2001402037 creator A5029553936 @default.
• W2001402037 creator A5070787702 @default.
• W2001402037 creator A5089126712 @default.
• W2001402037 date "2014-07-14" @default.
• W2001402037 modified "2023-09-25" @default.
• W2001402037 title "Thermodynamic Properties of the Isomers of [HNOS], [HNO₂S], and [HNOS₂] and the Role of the Central Sulfur" @default.
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• W2001402037 doi "https://doi.org/10.1002/chem.201404076" @default.
• W2001402037 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25043524" @default.
• W2001402037 hasPublicationYear "2014" @default.
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