Corrections and Clarifications


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Science  02 Oct 1987:
Vol. 238, Issue 4823, pp. 11
DOI: 10.1126/science.238.4823.11-a


In table 2 of the report "Free energy calculations by computer simulation" by P. A. Bash et al. (1 May, p. 564), two minus signs were omitted. The ▵(▵δ) for the transformation of thymine to cytosine and that for adenine to guanine should have been -5.24 ± 0.33 kcal/mol and -6.95 ± 0.54 kcal/mol, respectively. In the caption for figure 2, the structure designations for the "additive" model and the real model of p-nitrophenol were reversed. The first two sentences of the caption should have read, "Partial charges determined with the methods described in (19) with the use of a 6-31G basis set for phenol (1), nitrobenzene (2), benzene (3), and p-nitrophenol (5). The partial charges for the additive model of p-nitrophenol (4) were determined as follows...."