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Filtering by: Type Work Keyword density functional theory Subject Chemical engineering Subject Computational chemistry

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Description:: Shale gas is a critical energy resource that is comprised primarily of light gases that are expensive to transport. Because these gases are geographically spread-out and there is insufficient capacity to transport them to centralized processing facilities, they must often be flared, leading to great sources of resource waste and...
Keyword:: active site proximity, density functional theory, shale gas, zeolite catalysis, degree of rate control, and microkinetic modeling
Subject:: Nanoscience, Chemical engineering, and Computational chemistry
Creator:: Marsden, Grant Thomas
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 05/31/2023
Date Created:: 2023-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:16512 and etdadmin_upload_983488

Description:: The effective capture and detoxification of chemical warfare agents (CWAs) is a pressing need in the modern world. Materials are needed for both the destruction of weapon stockpiles and personal protection via fabric coatings or respirators. Attractive candidates for these applications include metal–organic frameworks (MOFs) – highly crystalline materials composed...
Keyword:: metal−organic framework, nerve agent, hydrolysis, density functional theory, quantitative structure-activity relationship, and chemical warfare agent
Subject:: Chemistry, Chemical engineering, and Computational chemistry
Creator:: Mendonca, Matthew Lee
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 01/21/2021
Date Created:: 2020-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:15063 and etdadmin_upload_739036

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