Browse "College of Natural Sciences(자연과학대학)" by Author Han, YK

Showing results 1 to 17 of 17

1
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

2
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

3
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

4
Effects of intramolecular basis set superposition error on conformational energy difference of 1,2-difluoroethane and 1,2-dimethoxyethane

Han, YK; Kim, KH; Son, SK; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.23, no.9, pp.1267 - 1271, 2002

5
Effects of the magnetic part of the Breit term on bonding: Model calculations with small diatomic molecules

Ryu, S; Baeck, KK; Han, YK; Lee, Yoon Sup, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.22, no.9, pp.969 - 974, 2001-09

6
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

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

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