Substituent effects on steric strain

Research output: Contribution to journalArticle

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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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Substitution reactions
substitutes
analogs

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Novak, Igor. / Substituent effects on steric strain. In: Chemical Physics Letters. 2003 ; Vol. 380, No. 3-4. pp. 258-262.
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Substituent effects on steric strain. / Novak, Igor.

In: Chemical Physics Letters, Vol. 380, No. 3-4, 2003, p. 258-262.

Research output: Contribution to journalArticle

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T1 - Substituent effects on steric strain

AU - Novak, Igor

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PY - 2003

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AB - 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.

U2 - 10.1016/j.cplett.2003.08.109

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