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Direct linkEckler, Logan H.; Nee, Matthew J. – Journal of Chemical Education, 2016
A simple molecular dynamics experiment is described to demonstrate transport properties for the undergraduate physical chemistry laboratory. The AMBER package is used to monitor self-diffusion in "n"-hexane. Scripts (available in the Supporting Information) make the process considerably easier for students, allowing them to focus on the…
Descriptors: Molecular Structure, Computation, Measurement Techniques, Undergraduate Students
