書誌事項
- タイトル別名
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- コンピューターを用いたメタクリル酸エステルのコンホメーション解析
- コンピューター オ モチイタ メタクリルサン エステル ノ コンホメーション カイセキ
- 157. Conformational Analysis of Methacrylates by Computational Calculation
- 公開日
- 2006
- 資源種別
- departmental bulletin paper
- 公開者
- 東京 : 東京女子大学
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説明
Conformational analysis of L-methyl lactate methacrylate (MLAM) was performed by molecular mechanics, semi empirical molecular orbital, and ab initio molecular orbital method. Spartan 04 (Wavefunction, Inc., Irvine, CA) was used as a software. In order to simplify the calculation, the results for methyl acetate and methyl methacrylate were applied for the calculation of MLAM. Many stable conformers were found indicating MLAM could take various conformations. In some of these stable conformers, ester oxygene and carbonyl oxygen atoms formed cage like structure. Such a structure may enhance the solubility of methal complexes which were used as catalysts in atom transfer polymerization of MLAM.
収録刊行物
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- Science reports of Tokyo Woman's Christian University
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Science reports of Tokyo Woman's Christian University 56 (3), 1827-1836, 2006
東京 : 東京女子大学
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詳細情報 詳細情報について
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- CRID
- 1050282812635287168
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- NII論文ID
- 110006487243
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- NII書誌ID
- AA11361276
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- ISSN
- 03864006
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- NDL書誌ID
- 8032332
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- 本文言語コード
- ja
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- 資料種別
- departmental bulletin paper
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- データソース種別
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- IRDB
- NDLサーチ
- CiNii Articles
