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.

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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Details

  • CRID
    1010000782441309211
  • Article Type
    journal article
  • Data Source
    • KAKEN

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