Transferable Scaling Factors for Density Functional Derived

Density Functional Theory Calculations of the Molecular Force Field of l-Ascorbic Acid, ... Uncertainties in Scaling Factors for ab Initio Vibrational...
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14572 J. Phys. Chem., Vol. 99, No. 39, 1995

Additions and Corrections

ADDITIONS AND CORRECTIONS 1995, Volume 99 Guntram Rauhut* and Peter Pulay*: Transferable Scaling Factors for Density Funktional Derived Vibrational Force Fields Page 3096. After the above paper was published, we found an error in Table 4. The scaling factors for “torsions of conjugated systems” and “torsions of single-bonded systems” have to be interchanged. This error is repeated in Table 1 of our paper in J. Am. Chem. SOC. 1995, 117, 4167, without affecting the results. We are indebted to A. Jarzecki for bringing this error to our attention. JP9521130

1995, Volume 99 Maria Angelica Bonadman Marin, Faruk Nome,* Din0 Zanette, Cesar Zucco, and Laurence S. Romsted: Effect of CetyltrimethylammoniumMicelles with Bromide, Chloride, and Hydroxide Counterions on the Rates of Decomposition of ParaSubstituted Aryl-2,2,2-trichloroethanolsin Aqueous NaOH Page 10880. An error in the publication process resulted in Scheme 2 inadvertently being printed in place of Figure 2. The correct Figure 2 is shown below. Figure 2 shows all kinetic data for the effect of increasing surfactant concentration, counterion type, and substituent effects on kobs for the OH-catalyzed decomposition of substituted aryl-2,2,2-trichloroethanols. The solid lines are simulations obtained by using the pseudophase ion exchange (PPIE) model. The high quality of the fit shows that the PPIE model is applicable to micellar effects on multistepped reactions. I

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Figure 2. Effect of cetyltrimethylammonium micelles with (0) bromide, (A) chloride, and (0)hydroxide counterions on the rates of decomposition of para-substituted aryl-2,2,2-trichloroethanols at 40 OC: (2A) p-H; (2B) p-CH3; (2C) p-OCH3; (2D) P-CI.

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