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Functionalization Workbench

By AbderRahman N Sobh1, Jasper Taylor Maniates-Selvin1, Kaustubh Bhalerao1, Adri van Duin2, Chen-Yu Li1

1. University of Illinois at Urbana-Champaign 2. Penn State University

Using molecular dynamic simulation - explore the interactions between a molecular structure and substrate when they are linked together.

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Version 1.0c - published on 14 Apr 2014

doi:10.4231/D38C9R435 cite this

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