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Science 2 October 1987:
Vol. 238. no. 4823, p. 11
DOI: 10.1126/science.238.4823.11-a

Articles

Erratum

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 utri(utridgr) 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...."





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Science. ISSN 0036-8075 (print), 1095-9203 (online)