Authors: Li, JQ Xiang, SC Zhang, YF

Citation: Jq. Li et al., Studies on the band structures, the relationship of magnetism and distortion of CaNiN by density functional calculations, ACT CHIM S, 59(6), 2001, pp. 883-889

Authors: Xiang, SC Li, JQ Zhang, YF Zhou, LX

Citation: Sc. Xiang et al., Ab initio calculation for magnetostructural characterization of azido-bridged Cu(II) dimers, ACT CHIM S, 59(2), 2001, pp. 173-178

Authors: Zhang, YF Xiang, SC Li, JQ

Citation: Yf. Zhang et al., A density functional study on the geometries and bond dissociation energies of Mo(CO)(n)(+) (n = 1 similar to 6) compounds, ACT CHIM S, 58(8), 2000, pp. 962-970

Authors: Li, JQ Zhang, YF Xiang, SC Chiu, YN

Citation: Jq. Li et al., A density functional study on the electronic structures of TiX (X = C, N, O). Part I. The electronic structures and bonding properties of TiN bulk and (001) surface, J MOL ST-TH, 530(1-2), 2000, pp. 209-216

Authors: Zhou, LX Mang, CY Zhang, YF Xiang, SC Huang, ZX

Citation: Lx. Zhou et al., Theoretical predictions of the structure, gas-phase acidity, and aromaticity of tetrathiosquaric acid, INT J QUANT, 78(6), 2000, pp. 443-449