7 | 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 |
8 | 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 |
9 | 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 |
10 | 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 |
11 | 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 |
12 | 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 |
13 | 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 |
14 | 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 |
15 | 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 |
16 | 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 |
17 | 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 |