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Chemical Education Today
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Corrections
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J. Chem. Educ. 2004, 81, 596–604
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Anne Lewis and John A. Bumpus
Department of Chemistry, University of Northern Iowa, Cedar Falls, IA 50614
Donald G. Truhlar and Christopher J. Cramer
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455-0431
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June 2007
Vol. 84 No. 6
p. 934
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| Full Text |
On page 597 of the article “Molecular Modeling of Environmentally Important Processes: Reduction Potentials” (1), we incorrectly stated that the free energy of solvation of the proton, -1104.5 kJ/mol, reported by Tissandier et al. (2) in 1998, corresponds to the same concentration in the gas phase and in liquid solution. Actually, their reported result corresponds to the standard state of 1 atm in the gas phase and 1 M in solution. Therefore it is not appropriate to make any correction to their measured value, as was done in our article to arrive at a 1 atm to 1 M transfer free energy of -1096.6 kJ/mol. Note that this implies that the absolute potential of the standard hydrogen electrode is 4.28 V, not 4.36 V. In addition, there is an error in the 298 K free energy of the chloride anion in Table 2 on p 601; the correct value is -460.31875 Eh (3).
Literature Cited
- Lewis, A.; Bumpus, J. A.; Truhlar, D. G.; Cramer, C. J. J. Chem. Educ. 2004, 81, 596–604.
- Tissandier, M. D.; Cowen, K. A.; Fendg, W. Y.; Gundlach, E.; Cohen, M. H.; Earhart, A. D.; Coe, J. V,; Tuttle, T. R. J. Phys. Chem. A 1998, 102, 7787–7794.
- Cramer, C. J.; Truhlar, D. G. In Trends and Perspectives in Modern Computational Science, Lecture Series on Computer and Computational Sciences, Vol. 6. Maroulis, G.; Simos, T. E., Eds.; Brill Academic: Amsterdam, 2006; pp 112–140.
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| More Information |
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Citation |
Lewis, Anne; Bumpus, John A.; Truhlar, Donald G.; Cramer, Christopher J. J. Chem. Educ. 2007, 84, 934.
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Keywords |
Computational Chemistry; Electrochemistry; Environmental Chemistry; Molecular Modeling; Oxidation / Reduction; Physical Chemistry; Quantum Chemistry
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History |
Created:
Last Updated: |
4/24/2007
5/2/2007
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