S
Sang Joo Lee
Researcher at Pohang University of Science and Technology
Publications - 16
Citations - 1068
Sang Joo Lee is an academic researcher from Pohang University of Science and Technology. The author has contributed to research in topics: Ab initio & Ab initio quantum chemistry methods. The author has an hindex of 14, co-authored 16 publications receiving 1049 citations.
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Journal ArticleDOI
On Binding Forces between Aromatic Ring and Quaternary Ammonium Compound
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A theoretical investigation of the nature of the π-H interaction in ethene–H2O, benzene–H2O, and benzene–(H2O)2
Pilarisetty Tarakeshwar,Hyuk Choi,Sang Joo Lee,Jin Yong Lee,Kwang S. Kim,Tae-Kyu Ha,Jee Hwan Jang,Jung Goo Lee,Hosull Lee +8 more
TL;DR: In this paper, a detailed investigation of the π-H interaction in the ethene-H2O, benzene-H 2O, and benzene−H 2 O complexes using large basis sets (ranging from 6-31+G* to TZ2P++) and high levels of theory was carried out.
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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.
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Novel structures for the excess electron state of the water hexamer and the interaction forces governing the structures
TL;DR: In this paper, the geometrical and electronic structures of partially hydrated electron systems, in particular, the water hexamer, have been clarified by an exhaustive search for possible low-lying energy structures.
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Entropy-driven structures of the water octamer
TL;DR: In this paper, Hartree-Fock and Moller-Plesset second-order perturbation calculations have been performed on several structures of the water octamer which are expected to be in low-lying energy states.