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-1 corresponds to a 50% decrease in enantiomeric excess in the course of approximately 1 h at 25 °C
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A development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007; TURBOMOLE GmbH since 2007; available from and distributed by COSMOlogic GmbH & Co. KG, D-51381 Leverkusen (http://www.cosmologic.de); see also
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A development of the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007; TURBOMOLE GmbH since 2007; available from http://www.turbomole.com and distributed by COSMOlogic GmbH & Co. KG, D-51381 Leverkusen (http://www.cosmologic.de); see also
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For consistency, B3LYP-D-optimized structures were used for single point calculations with B97-D and B2PLYP-D functionals, and B3LYP-D3-optimized structures for single point calculations with B97-D3 and B2PLYP-D3 functionals
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86
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