Lataa...
Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics
Reactive gas formation in pores of metal–organic frameworks (MOFs) is a known mechanism of framework destruction; understanding those mechanisms for future durability design is key to next generation adsorbents. Herein, an extensive set of ab initio molecular dynamics (AIMD) simulations are used for...
Tallennettuna:
| Julkaisussa: | Angew Chem Int Ed Engl |
|---|---|
| Päätekijät: | , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
John Wiley and Sons Inc.
2021
|
| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8252009/ https://ncbi.nlm.nih.gov/pubmed/33690943 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/anie.202102956 |
| Tagit: |
Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!
|