pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach
Felipe L. Oliveira,
Pierre M. Esteves
Abstract:Covalent organic frameworks (COFs) have gained significant popularity in recent years due to their unique ability to provide a high surface area and customizable pore geometry and chemistry, making them an ideal choice for a wide range of applications. However, exploring COFs experimentally can be arduous and time-consuming due to their immense number of potential structures. As a result, computational high-throughput studies have become an attractive option. Nevertheless, generating COF structures can also be… Show more
As an emerging crystalline porous material constructed from organic building blocks linked by covalent bonds, covalent organic frameworks (COFs) have garnered significant interest due to their well-defined pore structures. In...
As an emerging crystalline porous material constructed from organic building blocks linked by covalent bonds, covalent organic frameworks (COFs) have garnered significant interest due to their well-defined pore structures. In...
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