Browse "CH-Journal Papers(저널논문)" by Author Lee, Yoon Sup
Showing results 119 to 178 of 181
| RAMAN-SPECTROSCOPIC STUDY OF 1,2-ETHANEDITHIOL ADSORBED ON SILVER SURFACE KWON, CK; KIM, K; KIM, MS; Lee, Yoon Sup, JOURNAL OF MOLECULAR STRUCTURE, v.197, pp.171 - 180, 1989-06 |
| RELATIVISTIC EFFECTS ON ORBITAL ENERGIES IN AGH AND AUH - A CLUE TO THE ORIGIN OF RELATIVISTIC CORRELATION-EFFECTS Lee, Yoon Sup; MCLEAN, AD, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.8, no.2, pp.122 - 126, 1987-04 |
| RELATIVISTIC EFFECTS ON RE AND DE IN AGH AND AUH FROM ALL-ELECTRON DIRAC HARTREE-FOCK CALCULATIONS Lee, Yoon Sup; MCLEAN, AD, JOURNAL OF CHEMICAL PHYSICS, v.76, no.1, pp.735 - 736, 1982 |
| Relativistic effects on the ground state properties of group 1 and group 11 cyanides estimated from quantum chemical calculations Lee, Dong-Ki; Lim, Ivan S.; Lee, Yoon Sup; Jeung, Gwang-Hi, INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, v.271, no.1-3, pp.22 - 29, 2008-04 |
| RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS OF SPIN ORBIT SPLITTINGS IN DIATOMIC HYDRIDES BAECK, KK; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.93, no.8, pp.5775 - 5782, 1990-10 |
| Rotational Isomerism of Phenylthiolated Chromophores with Large Variation of Optical Nonlinearity Kim, Jongtaek; Seo, Ji-Youn; Jazbinsek, Mojca; Kwon, Seong-Ji; Choi, Eun-Young; Seo, Jung-In; Yun, Hoseop; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.47, pp.25034 - 25043, 2012-11 |
| Semiempirical calculations of substituent effects on the reactions of cephem-like beta-lactam molecules Lee, JC; Koh, HY; Chang, MH; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.17, no.7, pp.604 - 607, 1996-07 |
| SEMIEMPIRICAL MNDO CALCULATIONS FOR HALOCYCLOPENTYNES HAN, IY; Lee, Yoon Sup; KIM, JH, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.10, no.3, pp.289 - 292, 1989-06 |
| SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS OF THE SUBSTITUENT EFFECTS ON ACYLATIONS OF 3-CEPHEM ANALOGS CHANG, MH; KOH, HY; LEE, JC; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.15, no.6, pp.453 - 455, 1994-06 |
| Singlet and triplet Sigma(+) excited states of NaH and KH: undulating potential energy curves Lee, HS; Lee, Yoon Sup; Jeung, GH, CHEMICAL PHYSICS LETTERS, v.325, no.1-3, pp.46 - 52, 2000-07 |
| Spectroscopic constants of Pb and Eka-lead compounds: comparison of different approaches Liu, Wenjian; van Wuellen, Christoph; Han, Young Kyu; Choi, Yoon Jeong; Lee, Yoon Sup, ADVANCES IN QUANTUM CHEMISTRY, VOL 39: NEW PERSPECTIVES IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT 1 BOOK SERIES: ADVANCES IN QUANTUM CHEMISTRY, v.39, pp.355 - 1, 2001 |
| Spin-orbit ab initio study of two low-lying states of chloroiodomethane cation Kim, Joonghan; Ihee, Hyotcherl; Lee, Yoon Sup, THEORETICAL CHEMISTRY ACCOUNTS, v.129, no.3-5, pp.343 - 347, 2011-06 |
| 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 |
| Spin-orbit and relativistic effects on structures and stabilities of group 17 fluorides EF3 (E = I, At, and element 117): Relativity induced stability for the D-3h structure of (117)F-3 Bae, C; Han, YK; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY A, v.107, no.6, pp.852 - 858, 2003-02 |
| Spin-orbit density functional and ab initio study of HgX(n) (X=F, Cl, Br, and I; n=1, 2, and 4) Kim, Joonghan; Ihee, Hyotcherl; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.133, no.14, 2010-10 |
| Spin-orbit density functional theory calculations for (X = F, Cl, Br and I) molecules Cho, WK; Choi, YJ; Lee, Yoon Sup, MOLECULAR PHYSICS, v.103, no.15-16, pp.2117 - 2122, 2005-08 |
| 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 |
| Spin-orbit density functional theory calculations for TlAt with relativistic effective core potentials Choi, YJ; Bae, C; Lee, Yoon Sup; Leet, S, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.24, no.6, pp.728 - 730, 2003-06 |
| Spin-orbit effects calculated by a configuration interaction method using determinants of two-component molecular spinors: Test calculations on Rn and TlH Kim, M.C.; Lee, S.Y.; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.253, no.3-4, pp.216 - 222, 1996-05 |
| Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au-2, TlH and Tl-2 Lee, HS; Han, YK; Kim, MC; Bae, CB; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.293, no.1-2, pp.97 - 102, 1998-08 |
| Spin-orbit effects for the diatomic molecules containing halogen elements studied with relativistic effective core potentials: Hx, X2 (X = Cl, Br and I) and IZ (Z = F, Cl and Br) molecules Lee, HS; Cho, WK; Choi, YJ; Lee, Yoon Sup, CHEMICAL PHYSICS, v.311, no.1-2, pp.121 - 127, 2005-04 |
| Spin-orbit effects on structures of closed-shell polyatomic molecules containing heavy atoms calculated by two-component Hartree-Fock method Han, YK; Bae, C; Lee, Yoon Sup; Lee, SY, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.19, no.13, pp.1526 - 1533, 1998-10 |
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 |
| Spin-orbit effects on the transactinide p-block element monohydrides MH (M=element 113-118) Han, YK; Bae, C; Son, SK; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.112, no.6, pp.2684 - 2691, 2000-02 |
| Strong interfullerene electronic communication in a bisfullerene-hexarhodium sandwich complex Lee, K; Choi, YJ; Cho, YJ; Lee, CY; Song, Hyunjoon; Lee, Yoon Sup; Park, Joon Taik, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.31, pp.9837 - 9844, 2004-08 |
| Strong Spin-Orbit Coupling Facilitates C-H Activation in the Reactions of Os+ with CH3F: Theoretical Investigations Kim, Joonghan; Hong, Kiryong; Kim, Hyun Kook; Lee, Yoon Sup; Kim, Tae Kyu, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.2, pp.1087 - 1092, 2013-02 |
| Structural determination of large molecules through the reassembly of optimized fragments Lee, Jung-Goo; Lee, Yoon Sup; Roland, Christopher, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.27, no.3, pp.364 - 375, 2008-10 |
| STRUCTURE AND VIBRATIONAL PROPERTIES OF METHANETHIOLATE ADSORBED ON SILVER LEE, SB; KIM, K; KIM, MS; OH, WS; Lee, Yoon Sup, JOURNAL OF MOLECULAR STRUCTURE, v.296, no.1-2, pp.5 - 13, 1993-07 |
| STRUCTURES AND BARRIER HEIGHTS FOR THE INTERNAL-ROTATION OF ETHYL HALIDES CALCULATED BY AB-INITIO METHODS RYU, U; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.15, no.3, pp.221 - 227, 1994-03 |
| Structures and energetics of borafullerene dimer conformers Lee, KH; Lee, C; Park, SS; Kim, Y; Luthi, HP; Lee, S; Lee, Yoon Sup, SYNTHETIC METALS, v.135, pp.723 - 724, 2003-04 |
| Structures and N -> Si bond characters of 1-fluorosilatrane and the silatranyl cation Lee, HS; Bae, C; Do, Youngkyu; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.23, no.2, pp.215 - 220, 2002-02 |
| Structures and N®Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation Lee, Hyo Sug; Bae, Cheolbeom; Do, Youngkyu; Lee, Yoon Sup, Bull. Korean Chem. Soc. 2002, Vol. 23, No. 2, 2002 |
| Structures and stabilities for halides and oxides of transactinide elements Rf, Db, and Sg calculated by relativistic effective core potential methods Han, YK; Son, SK; Choi, YJ; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY A, v.103, no.45, pp.9109 - 9115, 1999-11 |
| Structures of Butylthiolate Self-Assembled Monolayers on Au(111) with Gold Adatoms Ryu, Seol; Kang, Jeewon; Han, Young-Kyu; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.32, no.10, pp.3614 - 3617, 2011-10 |
| Structures of RgF(n), (Rg = Xe, Rn, and element 118; n = 2, 4) calculated by two-component spin-orbit methods. A spin-orbit induced isomer of (118)F-4 Han, YK; Lee, Yoon Sup, JOURNAL OF PHYSICAL CHEMISTRY A, v.103, no.8, pp.1104 - 1108, 1999-02 |
| Substituent effects on the Z/E-selectivity in cross-metathesis of conjugated enynes Kang, B; Lee, JM; Kwak, J; Lee, Yoon Sup; Chang, Sukbok, JOURNAL OF ORGANIC CHEMISTRY, v.69, no.22, pp.7661 - 7664, 2004-10 |
| Terahertz Phonon Modes of Highly Efficient Electro-optic Phenyltriene OH1 Crystals Kim, Jongtaek; Lee, Seung-Heon; Lee, Seung-Chul; Jazbinsek, Mojca; Miyamoto, Katsuhiko; Omatsu, Takashige; Lee, Yoon Sup; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.42, pp.24360 - 24369, 2016-10 |
| TEST OF A MULTIREFERENCE MANY-BODY PERTURBATION-THEORY FOR THE DESCRIPTION OF ELECTRON CORRELATIONS IN 4 VALENCE ELECTRON-STATES OF TRANSITION-METAL ATOMS Lee, Yoon Sup; SUN, H; FREED, KF; HAGSTROM, S, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.7, no.4, pp.262 - 266, 1986-08 |
| The convergence of spin-orbit configuration interaction calculations for TlH and (113)H Choi, YJ; Han, YK; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.115, no.8, pp.3448 - 3453, 2001-08 |
| The correlated pi-Hamiltonian of trans-butadiene as calculated by the ab initio effective valence shell Hamiltonian method: Comparison with semiempirical models Lee, Yoon Sup; Freed, K.F.; Sun, H.; Yeager, D.L., THE JOURNAL OF CHEMICAL PHYSICS, v.79, no.8, pp.3862 - 3873, 1983 |
| The Kramers restricted complete active space self-consistent-field method for two-component molecular spinors and relativistic effective core potentials including spin-orbit interactions Kim, YS; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.119, no.23, pp.12169 - 12178, 2003-12 |
| The rearrangement reaction of CH3SNO2 to CH3SONO studied by a density functional theory method Choi, YJ; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.25, no.11, pp.1657 - 1660, 2004-11 |
| The spin-orbit energy estimated from two-component spin-orbit calculations as correction terms for the Gaussian-2 (G2) theory Cho, WK; Choi, YJ; Lee, Yoon Sup, MOLECULAR PHYSICS, v.103, no.6-8, pp.925 - 929, 2005 |
| Theoretical investigation of RbCs via two-component spin-orbit pseudopotentials: Spectroscopic constants and permanent dipole moment functions Lim, Ivan S.; Lee, Won Chai; Lee, Yoon Sup; Jeung, Gwang-Hi, JOURNAL OF CHEMICAL PHYSICS, v.124, no.23, 2006-06 |
| Theoretical investigation of the alkaline-earth dihydrides from relativistic all-electron, pseudopotential, and density-functional study Lim, Ivan S.; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.126, no.10, 2007-03 |
| Theoretical study of the electronic states of the Rb-2 molecule Park, SJ; Suh, SW; Lee, Yoon Sup; Jeung, GH, JOURNAL OF MOLECULAR SPECTROSCOPY, v.207, no.2, pp.129 - 135, 2001-06 |
| Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; An, Heesun; Baeck, Kyoung Koo, CHEMICAL PHYSICS LETTERS, v.580, pp.32 - 36, 2013-08 |
| Theoretical study of the gas phase Sc+(NO,O-2)-> ScO+(N,O) reactions Kim, KH; Lee, Yoon Sup; Kim, DW; Kim, KS; Jeung, GH, JOURNAL OF PHYSICAL CHEMISTRY A, v.106, no.41, pp.9600 - 9605, 2002-10 |
| Theoretical study of the Ti+(NO, O-2)-> TiO+ (N, O) reactions Kim, KH; Lee, Yoon Sup; Moon, JH; Kim, Y; Jeung, GH, JOURNAL OF CHEMICAL PHYSICS, v.117, no.18, pp.8385 - 8390, 2002-11 |
| THEORETICAL-STUDIES ON 1,2-BISPYRAZINYLETHYLENE KIM, JH; Lee, Yoon Sup; SHIM, SC, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.9, no.4, pp.258 - 259, 1988-08 |
| THEORETICAL-STUDIES ON THE PHOTOCYCLOADDITION REACTION OF PSORALEN WITH THYMIDINE KIM, JH; OH, SW; Lee, Yoon Sup; SHIM, SC, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.8, no.4, pp.298 - 301, 1987-08 |
| Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung, DALTON TRANSACTIONS, v.43, no.13, pp.4978 - 4985, 2014-04 |
| TL-TL INTERACTIONS IN TL DIMER INVESTIGATED BY RELATIVISTIC AND NONRELATIVISTIC EHT CALCULATIONS Lee, Yoon Sup; Do, Youngkyu, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.10, no.4, pp.346 - 348, 1989-08 |
| Two Component Calculations of Pt(2) With Relativistic Effective Core Potential Including Spin-Orbit Operator Lee, Dong-Ki; Jeung, Gwang-Hi; Lee, Yoon Sup, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.109, no.9, pp.1975 - 1983, 2009-08 |
| Two-component calculations for the molecules containing superheavy elements: Spin-orbit effects for (117)H, (113)H, and (113)F Han, YK; Bae, C; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.110, no.18, pp.8969 - 8975, 1999-05 |
| Two-component calculations of spin-orbit effects for a van der Waals molecule Rn-2 Han, YK; Bae, C; Lee, Yoon Sup, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.72, no.2, pp.139 - 143, 1999-03 |
| Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms Kim, Inkoo; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.139, no.13, 2013-10 |
| Two-component Relativistic Effective Core Potential Calculations for Molecules Lee, Yoon Sup, THEORETICAL AND COMPUTATIONAL CHEMISTRY, v.14, no.0, pp.352 - 416, 2004 |
| Two-component spin-orbit calculations for the hetero diatomic molecules TlAt and (113)(117) with relativistic effective core potentials Bae, C; Choi, YJ; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.375, pp.65 - 71, 2003-06 |
| Undulations of the potential-energy curves for highly excited electronic states in diatomic molecules related to the atomic orbital undulations Yiannopoulou, A; Jeung, GH; Park, SJ; Lee, HS; Lee, Yoon Sup, PHYSICAL REVIEW A, v.59, no.2, pp.1178 - 1186, 1999-02 |
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Date issued
- 914 2020 - 2024
- 2,186 2010 - 2019
- 1,655 2000 - 2009
- 759 1990 - 1999
- 257 1980 - 1989