Use of Molecular Modelling for the Understanding of Self-Assembly Processes in Supramolecular Polymers. Data in support of Doctoral thesis

Politi, Antiopi (2021) Use of Molecular Modelling for the Understanding of Self-Assembly Processes in Supramolecular Polymers. Data in support of Doctoral thesis. [Data Collection]

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Abstract

There is an increasing need to further improve and obtain new materials for biomedical and technological applications. The tools and intricacies of material discovery and design have been exponentially multiplying, especially in recent years, opening the way for new discoveries for next generation materials. This dataset supports thesis investigations in silico conjugated organic supramolecular assemblies with the use of selected tools at the molecular level.

Creators: Politi, Antiopi
Uncontrolled Keywords: supramolecular; semiempirical; dftb; aggregate; molecular dynamics
DOI: https://doi.org/10.24377/LJMU.d.00000090
Division: Pharmacy & Biomolecular Sciences
Field of Research: Biomedical and clinical sciences
Date Deposited: 24 Mar 2021 13:58
Last Modified: 09 Feb 2024 09:41
Related resources:
URI: https://opendata.ljmu.ac.uk/id/eprint/90
Resource language: English
Metadata language: English
Collection period:
FromTo
20172020

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