An ab initio study of the comparative st
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D. B. Chesnut
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Article
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2000
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John Wiley and Sons
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English
β 157 KB
High level ab initio quantum mechanical model chemistries have been used to study the relative stabilities of the simple phosphine oxides tautomers OPH 3 /PH 2 OH and OPH(OH) 2 /P(OH) 3 and related molecules. It is found that the two PH 2 OH isomers are virtually equi-energetic and only slightly mor