Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[<i>n</i>]uril of Different Sizes

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Natthiti Chiangraeng

Department of Chemistry, Graduate School of Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan
Haruyuki Nakano

Department of Chemistry, Graduate School of Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan
Piyarat Nimmanpipug

Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200, Thailand
Norio Yoshida

Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Chikusa-ku, Nagoya 464-8601, Japan

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The Journal of Physical Chemistry B

The Journal of Physical Chemistry B 127 (16), 3651-3662, 2023-04-18

American Chemical Society (ACS)