Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution.
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- HAYASHI Shigehiko
- Kyoto University
Bibliographic Information
- Title
- Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution.
- Author
- Masahiro Higashi, Shigehiko Hayashi, and Shigeki Kato
Journal
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- Journal of Chemical Physics 126
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Journal of Chemical Physics 126 144503-, 2007
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Details 詳細情報について
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- CRID
- 1010000782441309211
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- Article Type
- journal article
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- Data Source
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- KAKEN