Factors Controlling Regioselectivity in the Reduction of

Susan E. Barrows*, Michael S. Elovitz, and Eric J. Weber. Environ. Sci. Technol. , 1997, 31 (2), pp 612–612. DOI: 10.1021/es962022k. Publication Dat...
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Additions and Corrections 1996, Volume 30, Pages 3028-3038 Susan E. Barrows, Christopher J. Cramer,* Donald G. Truhlar, Michael S. Elovitz, and Eric J. Weber: Factors Controlling Regioselectivity in the Reduction of Polynitroaromatics in Aqueous Solution Figure 1: The electrostatic potential pictured for the first molecule, 2-amino-4,6-dinitrotoluene, is incorrect. (It corresponds to the highest energy stereostructure found in the Supporting Information.) The electrostatic potential for the lowest energy stereostructure (which is correctly depicted in ball-and-stick form) shows maximum negative potential on the nitro group ortho to methyl. All discussion of this molecule in the text remains correct. Page 3034: The second and third lines of the right-hand column should read: “(gas phase, 0.17 more negative para; aqueous solution, 0.42 more negative ortho)”. ES962022K

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ENVIRONMENTAL SCIENCE & TECHNOLOGY / VOL. 31, NO. 2, 1997

S0013-936X(96)02022-6 CCC: $14.00

 1997 American Chemical Society