Browse "Dept. of Chemistry(화학과)" by Author Lee, Yoon Sup
Showing results 1 to 60 of 203
| 2ND-ORDER MOLLER-PLESSET PERTURBATION-THEORY CALCULATIONS WITH RELATIVISTIC EFFECTIVE CORE POTENTIALS INCLUDING SPIN ORBIT OPERATORS LEE, SY; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.187, no.3, pp.302 - 308, 1991-12 |
| A computational grid system for quantum chemical calculations tested in a modeling of the Ge(001) surface Kwak, J; Lee, Yoon Sup, JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, v.4, no.1, pp.289 - 303, 2005-03 |
| A COUPLED CLUSTER APPROACH WITH TRIPLE EXCITATIONS Lee, Yoon Sup; KUCHARSKI, SA; BARTLETT, RJ, JOURNAL OF CHEMICAL PHYSICS, v.81, no.12, pp.5906 - 5912, 1984 |
| A dramatic spin-orbit effect observed in the vibrational frequencies of the chloroiodomethane cation Lee, M; Kim, H; Lee, Yoon Sup; Kim, MS, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.44, no.19, pp.2929 - 2931, 2005 |
| A Few Examples of Semiempirical and Ab Initio Electronic Structure Calculations Lee, Yoon Sup, Fourth Asian Chemical Congress, 1991 |
| A MULTIREFERENCE MANY-BODY PERTURBATION-THEORY STUDY OF BE + H2-]BEH2 Lee, Yoon Sup; BARTLETT, RJ, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY SUPPLEMENT: 17, v.17, pp.347 - 356, 1983 |
| A New Amorphous Semiconducting Polythiophene for High-Performance Organic Thin-Film Transistors Kong, Hoyoul; Lee, Dong Hoon; Seo, Jung-In; Oh, Ji-Young; Chung, Dae Sung; Park, Jong-Won; Kwon, Soon-Ki; et al, ACS APPLIED MATERIALS & INTERFACES, v.2, no.4, pp.1100 - 1106, 2010-04 |
| A protocol to evaluate one electron redox potential for iron complexes Kim, Hyungjun; Park, Joungwon; Lee, Yoon Sup, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.34, no.26, pp.2233 - 2241, 2013-10 |
| A RELATIVISTIC CONFIGURATION-INTERACTION METHOD USING EFFECTIVE CORE POTENTIALS WITH SPIN-ORBIT INTERACTIONS KIM, MC; LEE, SY; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.16, no.6, pp.547 - 552, 1995-06 |
| A semi-empirical study of the chemisorbed state of benzene on Si(100)-(2x1) Jeong, HD; Ryu, S; Lee, Yoon Sup; Kim, Sehun, SURFACE SCIENCE, v.344, no.3, pp.1226 - 1230, 1995-12 |
| A STUDY OF BE2 WITH MANY-BODY PERTURBATION-THEORY AND A COUPLED-CLUSTER METHOD INCLUDING TRIPLE EXCITATIONS Lee, Yoon Sup; BARTLETT, RJ, JOURNAL OF CHEMICAL PHYSICS, v.80, no.9, pp.4371 - 4377, 1984 |
| A THEORETICAL-STUDY OF GAS-SURFACE PHONON-SCATTERING - MODEL HE-SI(100) BULK AND RECONSTRUCTED SURFACES PARK, SC; RHEE, CH; HWANG, WL; Lee, Yoon Sup; KIM, MS, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.4, pp.387 - 392, 1991-08 |
| A two-ellipsoid model based upon a Gaussian overlap potential Yoo, JG; Lee, Yoon Sup, MOLECULAR SIMULATION, v.19, no.2, pp.93 - 116, 1997 |
| Ab initio calculations of the electronic states of KRb Park, SJ; Choi, YJ; Lee, Yoon Sup; Jeung, GH, CHEMICAL PHYSICS, v.257, no.2-3, pp.135 - 145, 2000-07 |
| Ab initio calculations on the electronic states of GaAr and GaAr+ Park, SJ; Kim, MC; Lee, Yoon Sup; Jeung, GH, JOURNAL OF CHEMICAL PHYSICS, v.107, no.7, pp.2481 - 2487, 1997 |
| 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 |
| ABINITIO CALCULATIONS OF THE PI-HAMILTONIAN OF TRANS-BUTADIENE INCLUDING ELECTRON CORRELATIONS Lee, Yoon Sup; FREED, KF, CHEMICAL PHYSICS LETTERS, v.94, no.2, pp.202 - 204, 1983 |
| ABINITIO EFFECTIVE CORE POTENTIAL CALCULATIONS FOR SILANE AND CHLOROSILANES LEE, SY; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.7, no.3, pp.218 - 224, 1986-06 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS - A PROCEDURE FOR THE INCLUSION OF SPIN-ORBIT-COUPLING IN MOLECULAR WAVEFUNCTIONS ERMLER, WC; Lee, Yoon Sup; CHRISTIANSEN, PA; PITZER, KS, CHEMICAL PHYSICS LETTERS, v.81, no.1, pp.70 - 74, 1981 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .1. FORMALISM AND APPLICATIONS TO XE AND AU ATOMS Lee, Yoon Sup; ERMLER, WC; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.67, no.12, pp.5861 - 5876, 1977 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2 ERMLER, WC; Lee, Yoon Sup; PITZER, KS; WINTER, NW, JOURNAL OF CHEMICAL PHYSICS, v.69, no.3, pp.976 - 983, 1978 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .3. GROUND-STATE AU2 CALCULATIONS Lee, Yoon Sup; ERMLER, WC; PITZER, KS; MCLEAN, AD, JOURNAL OF CHEMICAL PHYSICS, v.70, no.1, pp.288 - 292, 1979 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .4. POTENTIAL-ENERGY CURVES FOR THE GROUND AND SEVERAL EXCITED-STATES OF AU2 ERMLER, WC; Lee, Yoon Sup; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.70, no.1, pp.293 - 298, 1979 |
| ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .5. SCF CALCULATIONS WITH OMEGA-OMEGA COUPLING INCLUDING RESULTS FOR AU2+, TIH, PBS, AND PBSE Lee, Yoon Sup; ERMLER, WC; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.73, no.1, pp.360 - 366, 1980 |
| ABINITIO EFFECTIVE VALENCE HAMILTONIAN DESCRIPTION OF ELECTRON CORRELATION FOR THE NEUTRAL AND ION VALENCE STATES OF TRANSITION-METAL ATOMS Lee, Yoon Sup; SUN, H; SHEPPARD, MG; FREED, KF, JOURNAL OF CHEMICAL PHYSICS, v.73, no.3, pp.1472 - 1474, 1980 |
| 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 |
| ABINITIO POTENTIAL-ENERGY CURVES FOR THE LOW-LYING ELECTRONIC STATES OF THE ARGON EXCIMER YATES, JH; ERMLER, WC; WINTER, NW; CHRISTIANSEN, PA; Lee, Yoon Sup; PITZER, KS, JOURNAL OF CHEMICAL PHYSICS, v.79, no.12, pp.6145 - 6149, 1983 |
| ABINITIO SCF CALCULATIONS OF THE LINEAR INFINITE CHAIN OF LIH ACCORDING TO THE PSEUDO-LATTICE METHOD BAIK, DH; Lee, Yoon Sup; JHON, MS, THEORETICA CHIMICA ACTA, v.70, no.3, pp.227 - 236, 1986-09 |
| Adsorbed state of thiophene on Si(100)-(2x1) surface studied by electron spectroscopic techniques and semiempirical methods Jeong, HD; Lee, Yoon Sup; Kim, Sehun, JOURNAL OF CHEMICAL PHYSICS, v.105, no.12, pp.5200 - 5207, 1996-09 |
| Adsorption and chemical reaction of Cu(hfac)(vtms) on CU(111) Chung, YS; Lee, HS; Lee, Yoon Sup; Kim, Sehun, SURFACE SCIENCE, v.482, pp.312 - 317, 2001-06 |
| ALL-ELECTRON RELATIVISTIC SCF CALCULATIONS FOR B AND CH BAECK, KK; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.147, no.4, pp.367 - 372, 1988-06 |
| All-Electron Relativistic SCF Calculations for Diatomic Molecules Lee, Yoon Sup; Baeck, K. K., The 1989 International Chemical Congress of Pacific Basin Societies, 1989 |
| ALL-ELECTRON RELATIVISTIC SCF CALCULATIONS FOR LIGHT-ATOMS AND DIATOMIC-MOLECULES - CORRECT NONRELATIVISTIC LIMIT CALCULATIONS WITH A RELATIVISTIC METHOD BAECK, KK; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.6, pp.699 - 705, 1991-12 |
| ALL-ELECTRON RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS FOR CO AND CO+ BAECK, KK; LEE, MS; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.198, no.3-4, pp.273 - 278, 1992-10 |
| Alternating fluorene copolymers containing isothianaphthene derivatives: A study of their aggregation properties and small band gap Jung, Young Kwan; Kim, Hyoseok; Park, Jong-Hwa; Lee, Jaemin; Lee, Sang Kyu; Lee, Yoon Sup; Shim, Hong Ku, JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, v.46, no.11, pp.3573 - 3590, 2008-06 |
| AN EFFICIENT COMPUTATIONAL APPROXIMATION TO THE RELATIVISTIC SELF-CONSISTENT-FIELD METHOD Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.7, no.6, pp.480 - 481, 1986-12 |
| AN EFFICIENT METHOD OF IMPLEMENTING THE HORIZONTAL RECURRENCE RELATION IN THE EVALUATION OF ELECTRON REPULSION INTEGRALS USING CARTESIAN GAUSSIAN FUNCTIONS RYU, U; Lee, Yoon Sup; LINDH, R, CHEMICAL PHYSICS LETTERS, v.185, no.5-6, pp.562 - 568, 1991-10 |
| Basis set effects on the stability of the Cl2O3 isomers using B3P86 and B3LYP methods of density functional theory Kim, KH; Han, YK; Lee, Yoon Sup, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, v.460, no.1-3, pp.19 - 25, 1999-02 |
| BASIS SET REQUIREMENT FOR SMALL COMPONENTS BESIDES KINETIC BALANCE IN RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS OF MANY-ELECTRON SYSTEMS Lee, Yoon Sup; BAECK, KK, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.7, no.6, pp.428 - 433, 1986-12 |
| BASIS SET SELECTIONS FOR RELATIVISTIC SELF-CONSISTENT FIELD CALCULATIONS Lee, Yoon Sup; BAECK, KK; MCLEAN, AD, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.10, no.1, pp.112 - 117, 1989 |
| Calculations of Spin-Orbit Effects by Variational Method Using Two-Component and Four-Component Molecular Spinors Lee, Yoon Sup, The 205th ACS National Meeting, 1993 |
| Calculations of Spin-Orbit Effects on Molecular Structure and Properties Lee, Yoon Sup, WATOC'93, 1993 |
| Capturing Carbon Dioxide with Boron Nitride Nanotube with Antisites Choi, Sunghwan; Park, Young C.; Kim, Yong-Hyun; Lee, Yoon Sup; Kim, Woo Youn, 2013 Asian Core Winter School, KAIST department of chemistry, SNU CMD, KAIST MIRC, 2013-01-28 |
| Carbon Dioxide on Carbon Substituted Boron Nitride Nanotube (BNNT) Choi, Sunghwan; Park, Young Choon; Kim, Yong-Hyun; Lee, Yoon Sup; Kim, Woo Youn, Asia-Pacific Conference of Theoretical and Computational Chemistry 6 (APCTCC 6), Postech, KAIST, Sungkyunkwan Univ., 2013-07-12 |
| Cocrystallization of a dinuclear platinum complex as a monomer and a one-dimensional polymer Yoo, J; Han, YK; Lee, Yoon Sup; Do, Y, POLYHEDRON, v.21, no.7, pp.715 - 719, 2002-04 |
| Cocrystallization of a dinuclear platinum complex as a monomer and a one-dimensional polymer Yoo, Jeongsoo; Han, Young-Kyu; Lee, Yoon Sup; Do, Youngkyu, Polyhedron v.21, pp.715-719, 2002-04 |
| COMP 110-Spin-orbit ab initio study of excited state of CH2ClI cation Kim, Joonghan; Ihee, Hyotcherl; Lee, Yoon Sup, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.234, 2007-08 |
| Conformational Isomerism for Eckol and its Skeleton: Theoretical Study Lee, Jung Goo; Hwang, Hye Jeong; Lee, Yoon Sup; Shin, Hyeon-Cheol, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.40, no.10, pp.935 - 936, 2019-10 |
| Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)(2)](2) Reiff, William M.; Schulz, Charles E.; Whangbo, Myung-Hwan; Seo, Jung In; Lee, Yoon Sup; Potratz, Gregory R.; Spicer, Charles W.; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, no.2, pp.404 - 404, 2009-01 |
| Control of intramolecular orbital alignment in the photodissociation of thiophenol: Conformational manipulation by chemical substitution Lim, Jeong Sik; Lee, Yoon Sup; Kim, Sangkyu, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v.47, no.10, pp.1853 - 1856, 2008 |
| CORRELATED EFFECTIVE VALENCE SHELL HAMILTONIAN FOR THE 1ST-ROW TRANSITION-METAL ATOMS Lee, Yoon Sup; FREED, KF, JOURNAL OF CHEMICAL PHYSICS, v.79, no.2, pp.839 - 851, 1983 |
| Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; et al, CRYSTENGCOMM, v.11, no.8, pp.1541 - 1544, 2009 |
| Crystal structure of the biotin carboxylase domain of human acetyl-CoA carboxylase 2 Cho, Yong Soon; Lee, Jae Il; Shin, Dongkyu; Kim, Hyun Tae; Cheon, Young Hoon; Seo, Chang I.; Kim, Yong Eun; et al, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, v.70, no.1, pp.268 - 272, 2008-01 |
| Deep Red Phosphorescence of Cyclometalated Iridium Complexes by o-Carborane Substitution Bae, Hye Jin; Chung, Jin; Kim, Hyungjun; Park, Jihyun; Lee, Kang-Mun; Koh, Tae-Wook; Lee, Yoon Sup; et al, INORGANIC CHEMISTRY, v.53, no.1, pp.128 - 138, 2014-01 |
| Density functional and ab initio studies on structures and energies of the ground state of CrCO Kim, Joonghan; Lee, Yoon Sup; Ihee, Hyotcherl, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.107, no.2, pp.458 - 463, 2007-02 |
| Density functional and ab initio study of Cr(CO)(n) (n=1-6) complexes Kim, Joonghan; Kim, Tae Kyu; Kim, Jangbae; Lee, Yoon Sup; Ihee, Hyotcherl, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.21, pp.4697 - 4710, 2007-05 |
| Density functional theory calculations for simple prototypes of perfluorocarbons: neutral and anionic c-C4F8 and 2-C4F8 Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; Baeck, Kyoung Koo, JOURNAL OF FLUORINE CHEMISTRY, v.146, pp.46 - 52, 2013-02 |
| Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3 beta Shin, Dongkyu; Lee, Seung-Chul; Heo, Yong-Seok; Lee, Woon-Young; Cho, Yong-Soon; Kim, Yong Eun; Hyun, Young-Lan; et al, BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, v.17, no.20, pp.5686 - 5689, 2007-10 |
| Determination of molecular orientational distribution using surface second-harmonic generation analyzed by five-layer model and maximum-entropy method Yoo, JG; Hoshi, H; Sakai, T; Park, B; Ishikawa, K; Takezoe, H; Lee, Yoon Sup, JOURNAL OF APPLIED PHYSICS, v.84, no.8, pp.4079 - 4086, 1998-10 |
| Determination of Orientational Distribution of Side Chains of Polyimide Layer for Liquid Crystal Alignment by Surface Second-Harmonic Generation Yoo, Jeong-Guen; Sakai, T.; Kinoshita, Y.; Park, Byongchoo; Ishikawa, Ken; Takezoe, Hideo; Lee, Yoon Sup, MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, v.316, pp.223 - 226, 1998 |
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