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Updated: Feb 1, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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水とギプス (010) 表面の相互作用: 非線形振動スペクトルとアビニチオ分子ダイナミクスの構造とダイナミクス

Jaciara C C Santos1, Fabio R Negreiros2, Luana S Pedroza2

  • 1Instituto de Física de São Carlos , Universidade de São Paulo , CP 369, São Carlos , São Paulo 13560-970 , Brazil.

Journal of the American Chemical Society
|December 4, 2018
PubMed
まとめ

この研究は,スペクトロスコーピーとシミュレーションを使用して,石膏表面の水の分子構造を明らかにします. 水分子はアニストロピー的に配置され,拡散が制限され,表面特性に影響する.

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