1 | 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 |
2 | 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 |
3 | 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 |
4 | 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 |
5 | 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 |
6 | 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 |
7 | 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 |
8 | 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 |
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 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 |