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Correction: A molecular dynamics study of the ionic liquid, choline acetate

Jon A. L. Willcoxa, Hyunjin Kima and Hyung J. Kim*ab
aDepartment of Chemistry, Carnegie Mellon University, 4400 Fifth Ave, Pittsburgh, PA 15213, USA. E-mail:
bSchool of Computational Sciences, Korea Institute for Advanced Study, Seoul 02455, Korea

Received 7th April 2017 , Accepted 7th April 2017

First published on 18th April 2017

Correction for ‘A molecular dynamics study of the ionic liquid, choline acetate’ by Jon A. L. Willcox et al., Phys. Chem. Chem. Phys., 2016, 18, 14850–14858.

The values for the bond force constants used in our simulations were listed incorrectly in Table 2 of the published article. In order to reproduce the data reported in the paper, one would need the revised parameters listed in this correction.
Table 1 Bond parameters used for choline and acetate ions
Bond parameters
Atom Atom r0 (nm) kb (103 kcal mol−1 nm−2)
H1 C2 0.1080 60.0
C2 N3 0.1510 43.0
N3 C4 0.1510 43.0
C4 H5 0.1080 60.0
C4 C6 0.1530 44.5
C6 H7 0.1111 61.8
C6 O8 0.1420 85.6
O8 H9 0.0960 109.0
H10 C11 0.1111 64.4
C11 C12 0.1522 40.0
C12 O13 0.1260 105.0

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

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