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電子書籍・電子雑誌The journal of computer chemistry, Japan
Volume number5 (1)
Heyd-Scuse...

Heyd-Scuseria-Ernzerhof遮蔽クーロンハイブリッド汎関数を用いた周期境界条件(PBC)計算 : アナターゼ型およびルチル型TiO2の電子構造

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Heyd-Scuseria-Ernzerhof遮蔽クーロンハイブリッド汎関数を用いた周期境界条件(PBC)計算 : アナターゼ型およびルチル型TiO2の電子構造

Persistent ID (NDL)
info:ndljp/pid/9623972
Material type
記事
Author
中井浩巳ほか
Publisher
日本コンピュータ化学会
Publication date
2006
Material Format
Digital
Journal name
The journal of computer chemistry, Japan 5(1)
Publication Page
-
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Digital

Material Type
記事
Author/Editor
中井浩巳
Jochen Heyd
Gustavo E. Scuseria
Publication, Distribution, etc.
Publication Date
2006
Publication Date (W3CDTF)
2006
Alternative Title
Periodic-boundary-condition calculation using Heyd-Scuseria-Ernzerhof screened coulomb hybrid functional : electronic structure of anatase and rutile TiO2
Periodical title
The journal of computer chemistry, Japan
No. or year of volume/issue
5(1)
Volume
5(1)