H
Hyuk Soon Choi
Researcher at Pohang University of Science and Technology
Publications - 15
Citations - 901
Hyuk Soon Choi is an academic researcher from Pohang University of Science and Technology. The author has contributed to research in topics: Ab initio & Hydrogen bond. The author has an hindex of 12, co-authored 13 publications receiving 888 citations.
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Olefinic vs. aromatic pi-H interaction: a theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene.
TL;DR: The results indicate that the strength of the pi-H interaction is enhanced as one progresses from CH(4) to HF, and both electrostatic and inductive energies are important in the description of the aromatic pi-h interaction.
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Structures, Magnetic Properties, and Aromaticity of Cyclacenes.
Hyuk Soon Choi,Kwang S. Kim +1 more
TL;DR: Theoretical calculations indicate that [n]cyclacenes with even values of n constitute a novel class of organic semiconductors and magnetic materials.
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Ionophores and receptors using cation-pi interactions: collarenes.
TL;DR: Collarenes can prove to be novel and effective ionophores/model-receptors capable of heralding a new direction in molecular recognition and host-guest chemistry.
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Quantum mechanical probabilistic structure of the benzene-water complex
TL;DR: In this paper, the experimental structure, rotational constants and binding energy of the floppy benzene-water complex are characterized in a quantum mechanical probabilistic way, and the binding energy is in favor of the experimental upper bound.
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Ab initio study of the complexation of benzene with ammonium cations
TL;DR: In this paper, the most stable structure and binding energies of benzene with ammonium cations were reported using ab initio calculations with electron correlation included, and the calculated binding energies were in good agreement with experiment two types of NH-α and CH-α π interactions are responsible for the binding.