. 2017 Jul 24;13(9):4452–4466. doi: 10.1021/acs.jctc.7b00092

Table 1. Interaction Parameters (Lennard-Jones) and Partition Functions (q/Λ³) for Different Molecule Types^a.

Molecule type	σ	ϵ	q/Λ³
A	1.0	1.0	0.002
B	1.0	1.0	0.002
C	1.1	0.9	0.002
D	1.0	1.0	0.02
E	1.1	0.9	0.02
F	1.0	1.0	0.02

Note that there are several molecule types with exactly the same interaction parameters. This was done to show the effect of (in)distinguishability of the molecules in the reactions.

Table 1. Interaction Parameters (Lennard-Jones) and Partition Functions (q/Λ3) for Different Molecule Typesa.

Table 1. Interaction Parameters (Lennard-Jones) and Partition Functions (q/Λ³) for Different Molecule Types^a.