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J-GLOBAL ID:200902229026681234   Reference number:05A0824639

Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics: Application to stress-dependent reaction of H2O on nanostructured Si

密度汎関数理論と古典分子動力学をハイブリッド化したバッファ化クラスタ法 ナノ構造化Si上,H2Oの応力依存反応への適用
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Volume: 72  Issue:Page: 045348.1-045348.17  Publication year: Jul. 2005 
JST Material Number: D0746A  ISSN: 1098-0121  CODEN: PRBMDO  Document type: Article
Article type: 原著論文  Country of issue: United States (USA)  Language: ENGLISH (EN)
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Electron theory of adsorption 

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