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Showing results 1 to 10 of 10

1
Ab initio study of fluorocyclobutenes: an attempt to resolve the difference between microwave spectroscopy and electron diffraction geometries of hexafluorocyclobutene

Han, YK; Lee, Yoon Sup; Lee, SY; Kim, JT, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, v.422, pp.25 - 33, 1998-01

2
ABINITIO ELECTRONIC-STRUCTURE CALCULATIONS OF O2 USING COUPLED CLUSTER APPROACHES AND MANY-BODY PERTURBATION-THEORY

Lee, Yoon Sup; LEE, SY, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.2, pp.211 - 213, 1991-04

3
Conformational and functional changes of the native neuropeptide somatostatin occur in the presence of copper and amyloid-beta

Han, Jiyeon; Yoon, Jiwon; Shin, Jeongcheol; Nam, Eunju; Qian, Tongrui; Li, Yulong; Park, Kiyoung; et al, NATURE CHEMISTRY, v.14, no.9, pp.1021 - 1030, 2022-09

4
Conformer-Specific Ionization Spectroscopy of Bromocyclohexane: Equatorial versus Axial Conformers

Han, Song-Hee; You, Hyeon-Sik; Kim, Sang-Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.114, no.37, pp.10005 - 10010, 2010-09

5
Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2

Wong, Shaun D.; Srnec, Martin; Matthews, Megan L.; Liu, Lei V.; Kwak, Yeonju; Park, Kiyoung; Bell, Caleb B., III; et al, NATURE, v.499, no.7458, pp.320 - 320, 2013-07

6
Hydrogen transfer between ligands: A density functional study of the rearrangement of M(eta(6)-C7H8)(2) into M(eta(7)-C7H7)(eta(5)-C7H9) [M = Mo, Mo+, Zr]

Herbert, BJ; Baik, Mu-Hyun; Green, JC, ORGANOMETALLICS, v.23, no.11, pp.2658 - 2669, 2004-05

7
Performance of Density Functional Theory and Relativistic Effective Core Potential for Ru-Based Organometallic Complexes

Paranthaman, Selvarengan; Moon, Jiwon; Kim, Joonghan; Kim, Dong Eon; Kim, Tae Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.120, no.13, pp.2128 - 2134, 2016-04

8
Spin-Orbit and Electron Correlation Effects on the Structure of EF(3) (E = I, At, and Element 117)

Kim, Hyoseok; Choi, Yoon Jeong; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY B, v.112, no.50, pp.16021 - 16029, 2008-12

9
Spin-orbit density functional theory calculations for heavy metal monohydrides

Choi, YJ; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.119, no.4, pp.2014 - 2019, 2003-07

10
Spin-orbit Effects on the Structure of Haloiodomethane Cations CH2XI+ (X=F, Cl, Br, and I)

Kim, Hyoseok; Park, Young Choon; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.35, no.3, pp.775 - 782, 2014-03

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