A quantum chemical study on the ion influence on linear water polymer.
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概要
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Quantum chemical model calculations have been performed using an STO-3G basis set for linear water polymers under the influence of electrostatically approximated cations and anions. It is found that the influence of the cations on the ligand chains can be described properly as a purely electrostatic interaction from the third water molecule on. The mutual influencing of cation and anion in ion pairs separated by more than one solvent molecule seems to be also a merely electrostatic one. An estimation of the range of these electrostatic forces is given.
- 公益社団法人 日本化学会の論文
著者
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Fujiwara Shizuo
Department Of Chemistry Faculty Of Science Chiba University
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Rode Bernd
Department of Chemistry, Faculty of Science, The University of Tokyo
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Fujikura Ryo
Department of Chemistry, Faculty of Science, The University of Tokyo
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