Title : Uncertainty quantification and propagation of errors of the Lennard-Jones 12-6 parameters for n-alkanes.

Pub. Date : 2017 May 21

PMID : 28527455






1 Functional Relationships(s)
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1 For example, we implement molecular simulation to predict the critical constants (i.e., critical temperature, critical density, critical pressure, and critical compressibility factor) for large n-alkanes that thermally decompose experimentally (as large as C48). n-alkanes CDK5 regulatory subunit associated protein 2 Homo sapiens