4321 | 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 |
4322 | Kramers unrestricted Hartree-Fock and second-order Moller-Plesset perturbation methods using relativistic effective core potentials with spin-orbit operators: Test calculations for HI and CH3I Kim, YS; Lee, SY; Oh, WS; Park, BH; Han, YK; Park, SJ; Lee, Yoon Sup, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.66, no.1, pp.91 - 98, 1998-01 |
4323 | 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 |
4324 | 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 |
4325 | 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 |
4326 | Two conformations of the integrin A-domain (I-domain): A pathway for activation? Lee, Jie-Oh; Bankston, LA; Arnaout, MA; Liddington, RC, STRUCTURE, v.3, no.12, pp.1333 - 1340, 1995-12 |
4327 | Low-lying states of Tl-2 calculated by the configuration interaction methods based upon relativistic effective core potentials and two-component spinors Kim, MC; Lee, HS; Lee, Yoon Sup; Lee, SY, JOURNAL OF CHEMICAL PHYSICS, v.109, no.21, pp.9384 - 9390, 1998-12 |
4328 | Energies and structures of isomers of Cl2O2 calculated by density functional methods Han, YK; Kim, KH; Lee, Yoon Sup; Baeck, KK, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, v.431, no.1-2, pp.185 - 189, 1998-04 |
4329 | Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16(INK4a) Russo, AA; Tong, L; Lee, Jie-Oh; Jeffrey, PD; Pavletich, NP, NATURE, v.395, no.6699, pp.237 - 243, 1998-09 |
4330 | Synthesis, Structures and Reactivities of Oxomolybdacarboranes: A Systematic Approach Do, Youngkyu; KIM, J.-H; Spec. Publ; - R. Soc. Chem., SPECIAL PUBLICATIONS - ROYAL SOCIETY OF CHEMISTRY, v.201, pp.358 - 365, 1997 |
4331 | Heavy-element effect on the splitting of the A(2)Pi state of the LiRg (Rg = Ar, Kr and Xe) complexes Park, SJ; Lee, Yoon Sup; Jeung, GH, CHEMICAL PHYSICS LETTERS, v.325, no.5-6, pp.678 - 682, 2000-08 |
4332 | Structure of the retinoblastoma tumour-suppressor pocket domain bound to a peptide from HPV E7 Lee, Jie-Oh; Russo, AA; Pavletich, NP, NATURE, v.391, no.6670, pp.859 - 865, 1998-02 |
4333 | 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 |
4334 | 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 |
4335 | 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 |
4336 | On the consistent definition of spin-orbit effects calculated by relativistic effective core potentials with one-electron spin-orbit operators: Comparison of spin-orbit effects for Tl, TlH, TlH3, PbH2, and PbH4 Han, YK; Bae, C; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.110, no.19, pp.9353 - 9359, 1999-05 |
4337 | 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 |
4338 | 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 |
4339 | Computational study of medium-sized cumulenethiones H2CnS (n=3-9) Park, SW; Park, K; Lee, S; Kim, Bongsoo, CHEMICAL PHYSICS LETTERS, v.326, no.5-6, pp.530 - 536, 2000-08 |
4340 | 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 |