書誌事項
- タイトル別名
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- Analysis of Isomerization of Glyceryl Monopentadecanoates by Means of Semi-empirical Molecular Orbital Calculation.
- ハン ケイケンテキ ブンシ キドウホウ ニヨル グリセリルモノペンタデカノエー
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抄録
It is found that isomerization of glyceryl monopentadecanoate occures in ethanol without catalyst. The isomerization has been assessed by using various semi-empirical orbital calculations (i.e., CNDO/2, INDO, MINDO/3, MNDO, AM1 and PM3). Among these calculation methods, those based on the Neglect of Diatomic Differential Overlap (NDDO) approximations have been compared with the experimental results. As a result, the calculated values of the equilibrium composition of 1-monoglyceride and 2-monoglyceride by PM3 are in good agreement with the experimental values in the ethanol solutions.
収録刊行物
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- 日本油化学会誌
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日本油化学会誌 45 (2), 187-190, 1996
公益社団法人 日本油化学会
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詳細情報
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- CRID
- 1390282679070083968
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- NII論文ID
- 10002268607
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- NII書誌ID
- AN10512582
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- ISSN
- 18841996
- 13418327
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- NDL書誌ID
- 3954779
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
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- 抄録ライセンスフラグ
- 使用不可