Please let us know of any additional parameters that you suspect may not be correct

Errors

Alkane torsion parameter

in:

B. Chen, J.J. Potoff, and J.I. Siepmann,

'Monte Carlo calculations for alcohols and their mixtures with alkanes. Transferable potentials for phase equilibria. 5. United-atom description of primary, secondary and tertiary alcohols,'

J. Phys. Chem. B, 105, 3093-3104 (2001).

J.M. Stubbs, J.J. Potoff, and J.I. Siepmann,

'Transferable potentials for phase equilibria. 6. United-atom description for ethers, glycols, ketones and aldehydes,'

J. Phys. Chem. B, 108, 17596-17605 (2004).

TraPPE-EH Partial Charges for Aromatic Heterocycles

in:

N. Rai, and J.I. Siepmann,

'Transferable potentials for phase equilibria. 9. Explicit-hydrogen description of benzene and 5-membered and 6-membered heterocyclic aromatic compounds,'

J. Phys. Chem. B, 111, 10790-10799 (2007).

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