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Proline - B3LYP/6-31G(d) - No Solvent - Triketone

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posted on 2013-11-01, 15:53 authored by Paul DingwallPaul Dingwall

Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.

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    HPESW ReactionOrganocatalysisImperial College LondonprolineHouk-List Modelcomputational chemistryInChI=1S/C15H21NO4/c1-14-6-4-10(9-15(14,20)7-5-12(14)17)16-8-2-3-11(16)13(18)19/h11H,2-9H2,1H3,(H,18,19)/t11-,14-,15+/m0/s1Organic Chemistry

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