Skip to main content
. Author manuscript; available in PMC: 2019 Feb 13.
Published in final edited form as: J Chem Theory Comput. 2018 Jan 9;14(2):948–958. doi: 10.1021/acs.jctc.7b00948

Table 6.

Parameter b describing temperature dependence of βT for hexadecane.

Force Field b (K−4 m2/N × 10−10)
C36 13.6
C36 LJ-PME 6.81
Drude 7.38
Drude LJ-PME 5.41
Exp. 4.77