Molecular Modeling of Supramolecular Structures
Published: Sep 5, 2019
Abstract
In this thesis, we explore the application of various molecular simulations techniques to give insights into the self-assembly of supramolecular systems. Chapter 1 explains the importance of molecular simulation to study the selfassembly process. In chapter 2 we study self-assembly of a derivative of 1,3,5-triamidocyclohexane (CTA) using common techniques: simulations of selfassembly from randomly distributed molecules and simulations of the...
Paper Details
Title
Molecular Modeling of Supramolecular Structures
Published Date
Sep 5, 2019
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