Substituent effects on steric strain

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Abstract

Accurate quantum chemical calculations were performed on a series of mono-substituted tetrahedranes and [3]-prismanes by the high-level ab initio G3/B3LYP method. The relative stabilities of substituted tetrahedranes vs. their [3]-prismane analogues and the influence of substitution on steric strain are discussed.
Original languageEnglish
Pages (from-to)258-262
Number of pages5
JournalChemical Physics Letters
Volume380
Issue number3-4
DOIs
Publication statusPublished - 2003

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