Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional 
Theory: An Assessment of the Structure and Density of Water at Near-Ambient 
Conditions

Schmidt, J.; VandeVondele, J.; Kuo, I. F. W.; Sebastiani, Daniel; Siepmann, J. I.; Hutter, J.; Mundy, C. J.

アイテム詳細

登録内容を編集ファイル形式で保存

一時保存へ追加

タグ情報を表示リリース履歴を表示詳細要約

公開

学術論文

Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

MPS-Authors

/persons/resource/persons48710

Schmidt, J.
MPI for Polymer Research, Max Planck Society;

/persons/resource/persons48738

Sebastiani, Daniel
MPI for Polymer Research, Max Planck Society;

External Resource

There are no locators available

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

フルテキスト (公開)

公開されているフルテキストはありません

付随資料 (公開)

There is no public supplementary material available

引用

Schmidt, J., VandeVondele, J., Kuo, I. F. W., Sebastiani, D., Siepmann, J. I., Hutter, J., & Mundy, C. J. (2009). Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. Journal of Physical Chemistry B, 113(35), 11959-11964.

引用: https://hdl.handle.net/11858/00-001M-0000-000F-7704-1

要旨

要旨はありません