Theoretical Investigation of Normal to Strong Hydrogen Bonds |
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| Authors: | Chaeho?Pak Han?Myoung?Lee Jong?Chan?Kim Dongwook?Kim Email author" target="_blank">Kwang?S?KimEmail author |
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| Institution: | (1) National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Division of Molecular and Life Sciences, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang, 790-784, Korea |
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| Abstract: | We review our theoretical work done on a variety of different chemical systems, which show different H-bonding characteristics. The systems include water clusters, its interactions with polar molecules and π-systems, organic nanotubes, enzymes, and ionophores/receptors. Special features of normal, short, short strong, and π-type H-bonding interactions in these systems are discussed in terms of structures, interaction energies, and spectra. |
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| Keywords: | Hydrogen bond ab initio calculations water ionophore enzyme |
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