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The CVFF force field within the modeling package DISCOVER (MSI, San Diego, CA) was used.
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2 carbon) is replaced by OH.
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Ref 1, Chapter 3; Nishio, M.; Hirota, M. Tetrahedron 1989, 45, 7201.
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Hirota, M.; Sekiya, T.; Abe, K.; Tashiro, H.; Karatsu, M.; Nishio, M.; Osawa, E. Tetrahedron 1983, 39, 3091; Nishio, M.; Hirota, M. Tetrahedron 1989, 45, 7201.
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27
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The concept of hydrophobic effect is a subject of controversy among physical chemists. See, e.g., Shinoda, K. Kagaku to Kogyo 1967, 21, 1400; Hildebrand, J. H. Proc. Natl. Acad. Sci. USA 1979, 76, 194; Privalov, P. L.; Gill, S. J. Adv. Protein Chem. 1988, 39, 191; Murphy, K. P.; Privalov, P. L.; Gill, S. J. Science 1990, 247, 559; Dill, K. Science 1990, 250, 297; Privalov, P. L.; Gill, S. J.; Murphy, K. P. Science 1990, 250, 297.
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Nishio, M. Introduction to Intermolecular Forces in Organic Chemistry; Kodansha: Tokyo, 2000 (in Japanese).
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