Northwestern University

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Filtering by: Type Work Keyword Computational screening Keyword Density functional theory

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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