Phys. Chem. Chem. Phys., 2007, 9, 691

Additions and corrections

Direct calculation of 1H2O T1 NMRD profiles and EPR lineshapes for the electron spin quantum numbers S = 1, 3/2, 2, 5/2, 3, 7/2, based on the stochastic Liouville equation combined with Brownian dynamics simulation

Ken Åman and Per-Olof Westlund

Phys. Chem. Chem. Phys., 2007, 9, 691, DOI: 10.1039/b614821b. Amendment published 4th July 2007

Table 2 and 3 are not referring to the correct figures in the published paper. The first column in Table 2 referring to Figures 2, 3A, 3B, 4A, 4B; should instead read: 4, 5a, 5b, 6a, 6b. The first column in Table 3 referring to Figures: 5, 6A, 6B; should read: 7, 8a, 8b. Also, line 22 in the right column on page 696 should be corrected to: "used by Rast and coworkers5) and in 5b and 6b, R = 1 ns." The reference to the bath trace in eqn (14) in the text at the bottom of the right column on page 694 should instead be a reference to eqn (11). A minor error is found in the figure caption of Fig. 5; one of the t should of course be s. Finally, we can also correct a misprint at page 699 for submatrix M3. At the bottom of the left column on page 699 we have written out numerical values for γi, where i = 1, 2 and 3, but of course it should instead be µi in order for the presentation to make sense.


The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.


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