Ab initio calculation of force constants of hydroxylamine.
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概要
- 論文の詳細を見る
<I>Ab initio</I> molecular orbital calculation has been applied to hydroxylamine molecule to reach a reliable set of force constants by the use of the 4-31G basis set. This approach was found to be an enlightening way to solve a problem of the so far undeterminable amino twisting frequency. For this, the value of 1250±100 cm<SUP>−1</SUP> was estimated. A few comments are also given on the theoretical and experimental values of force constants.
- 公益社団法人 日本化学会の論文
著者
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Umeyama Hideaki
School Of Pharmaceutical Sciences Kitasato University
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Tsuboi Masamichi
Faculty Of Pharmaceutical Sciences University Of Tokyo
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Hamada Yoshiaki
Faculty of Pharmaceutical Sciences, The University of Tokyo
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Tsuboi Masamichi
Faculty of Pharmaceutical Sciences, The University of Tokyo
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Tsuboi Masamichi
Faculty of Parmaceutical Sciences, The University of Tokyo
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