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 |