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density functional theory dft ab initio molecular dynamics aimd reactive force field molecular dynamics  (Molecular Dynamics Inc)

 
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    Molecular Dynamics Inc density functional theory dft ab initio molecular dynamics aimd reactive force field molecular dynamics
    Density Functional Theory Dft Ab Initio Molecular Dynamics Aimd Reactive Force Field Molecular Dynamics, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/ab+initio+density+functional+theory+dft/density+functional+theory/pmc12787602-107-14-19
    Average 86 stars, based on 1 article reviews
    density functional theory dft ab initio molecular dynamics aimd reactive force field molecular dynamics - by Bioz Stars, 2026-09
    86/100 stars

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    Article Title: Nitrogen Rejection from Methane via a "Trapdoor" K-ZSM-25 Zeolite.
    Article Snippet: Nitrogen (N2) rejection from methane (CH4) is the most challenging step in natural gas processing because of the close similarity of their physical-chemical properties.. For decades, efforts to find a functioning material that can selectively discriminate N2 had little outcome.. Here, we report a molecular trapdoor zeolite K-ZSM25 that has the largest unit cell among all zeolites, with the ability to capture N2 in favor of CH4 with a selectivity as high as 34.



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