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Crystal Structure Model-Assembly Program Using the Monte Carlo and the R-factor Method

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Crystal Structure Model-Assembly Program Using the Monte Carlo and the R-factor Method

Call No. (NDL)
Z17-1611
Bibliographic ID of National Diet Library
4976167
Material type
記事
Author
三浦 裕行ほか
Publisher
鯖江 : 化学ソフトウェア学会
Publication date
1999-12
Material Format
Digital
Journal name
The Journal of chemical software 5(4) 1999.12
Publication Page
p.163~172
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Summary, etc.:

粉末X線回折デ-タをもとに結晶構造を自動的に探索するプログラムを作成し、有効性を確認した。リートベルト法においては計算のもとになる構造モデルをあらかじめ与える必要があり、構造未知の物質に対しては大変困難な作業となる。本プログラムは粉末X線回折デ-タ、格子定数、空間群、組成式、Z数をもとに空間群で決め...

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Digital

Material Type
記事
Author/Editor
三浦 裕行
菊地 武
Alternative Title
モンテカルロ法とR因子法による結晶構造モデル作成プログラム
Periodical title
The Journal of chemical software
No. or year of volume/issue
5(4) 1999.12
Volume
5
Issue
4
Pages
163~172