文書・図像類

高精度モデリングに基づく不均一系オレフィン重合触媒の非経験的設計

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高精度モデリングに基づく不均一系オレフィン重合触媒の非経験的設計

Material type
文書・図像類
Author
谷池, 俊明
Publisher
-
Publication date
2014-06-03
Material Format
Digital
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計算科学の発展は不均一系触媒に関する種々の実験結果に量子化学的な解釈を与えることに成功したが、計算科学を主導とした高性能触媒の設計は未だに実現されていない。本研究では、高精度な触媒表面モデルを基盤として、Ziegler-Nattaオレフィン重合触媒の鍵成分としてのドナーの分子構造を非経験的に設計する...

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Digital

Material Type
文書・図像類
Title
高精度モデリングに基づく不均一系オレフィン重合触媒の非経験的設計
Author/Editor
谷池, 俊明
Author Heading
谷池, 俊明
Publication Date
2014-06-03
Publication Date (W3CDTF)
2014-06-03
Alternative Title
Computational design of heterogeneous olefin polymerization catalysts based on highprecision　modeling
Periodical title
科学研究費助成事業研究成果報告書
Pages
1-6
Text Language Code
jpn