CRAFTED: An exploratory database of simulated adsorption isotherms of metal-organic frameworks

Grand Canonical Monte Carlo is an important method for performing molecular-level simulations and assisting the study and development of nanoporous materials for gas capture applications. These simulations are based on the use of force fields and partial charges to model the interaction between the...

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Detalles Bibliográficos
Autores principales: Oliveira, Felipe Lopes, Cleeton, Conor, Neumann Barros Ferreira, Rodrigo, Luan, Binquan, Farmahini, Amir H., Sarkisov, Lev, Steiner, Mathias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10119274/
https://www.ncbi.nlm.nih.gov/pubmed/37081024
http://dx.doi.org/10.1038/s41597-023-02116-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10119274/
https://www.ncbi.nlm.nih.gov/pubmed/37081024
http://dx.doi.org/10.1038/s41597-023-02116-z

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