화학공학소재연구정보센터
검색결과 : 61건
No. Article
1 Spin-orbit effects on the transactinide p-block element monohydrides MH (M=element 113-118)
Han YK, Bae C, Son SK, Lee YS
Journal of Chemical Physics, 112(6), 2684, 2000
2 Ab initio based configuration interaction study of the electronic states of InP
Manna B, Dutta A, Das KK
Journal of Physical Chemistry A, 104(12), 2764, 2000
3 Spin-orbit configuration interaction calculation of the potential energy curves of iodine oxide
Roszak S, Krauss M, Alekseyev AB, Liebermann HP, Buenker RJ
Journal of Physical Chemistry A, 104(13), 2999, 2000
4 Binding energies and structures of NaI-(CH3CN)(n=1-9) clusters: Theoretical study of the contact ion pair versus the solvent-separated ion pair structures in a molecular cluster
Gregoire G, Brenner V, Millie P
Journal of Physical Chemistry A, 104(22), 5204, 2000
5 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 YS
Journal of Physical Chemistry A, 103(8), 1104, 1999
6 Spectroscopic properties and potential energy surfaces of electronic states of SbCl2, SbBr2, SbCl2+ and SbBr2+
Balasubramanian K, Latifzadeh-Masoudipour L
Journal of Physical Chemistry A, 103(16), 3044, 1999
7 Potential energy surfaces for Tc plus CO, Re plus CO, and Ta plus CO and periodic trends of the second- and third-row transition metals interaction with CO
Tan H, Liao MZ, Dai DG, Balasubramanian K
Journal of Physical Chemistry A, 103(18), 3495, 1999
8 Interaction of the adenine-thymine Watson-Crick and adenine-adenine reverse-Hoogsteen DNA base pairs with hydrated group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) metal cations: Absence of the base pair stabilization by metal-induced polarization effects
Sponer J, Sabat M, Burda JV, Leszczynski J, Hobza P
Journal of Physical Chemistry B, 103(13), 2528, 1999
9 Prediction of the geometries of simple transition metal polyhydride complexes by symmetry analysis
Bayse CA, Hall MB
Journal of the American Chemical Society, 121(6), 1348, 1999
10 Electronic states and potential energy curves of zirconium and hafnium carbon monoxide
Tan H, Liao MZ, Balasubramanian K
Journal of Physical Chemistry A, 102(9), 1602, 1998