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Filtering by: Creator Rosen, Andrew Scott Type Work Keyword Computational screening Keyword Density functional theory

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1. Quantum-Chemical Screening of Redox-Active Metal–Organic Frameworks

Description:: Metal–organic frameworks (MOFs) are a class of crystalline materials composed of metal nodes connected by organic linkers. Due to their high degree of synthetic tunability, MOFs have been considered for a wide range of applications, including many that rely on a change in oxidation state. While most MOFs are generally...
Keyword:: Computational screening, Density functional theory, Machine learning, and Metal-organic framework
Subject:: Chemical engineering
Creator:: Rosen, Andrew Scott
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 10/07/2021
Date Created:: 2021-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_838355 and http://dissertations.umi.com/northwestern:15675