Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation

Liangliang Huang, Teresa Bandosz, Kaushik L. Joshi, Adri C.T. Van Duin, Keith E. Gubbins

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

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Chemical Compounds

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