Au-chin Tang — A prestigious scientist, outstanding educator and distinguished leader Institute of Theoretical Chemistry of Jilin UniversityHongxing Zhang OriginalPaper 05 December 2008 Pages: 1142 - 1145
The anharmonic effect study of coupled Morse oscillators for the unimolecular reaction Li YaoSheng-Hsien Lin OriginalPaper 05 December 2008 Pages: 1146 - 1152
Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect YingLi NiuQian PengZhiGang Shuai OriginalPaper 05 December 2008 Pages: 1153 - 1158
Protonation effects on electron transport through diblock molecular junctions: A theoretical study ZhenYu LiJing HuangJinLong Yang OriginalPaper 05 December 2008 Pages: 1159 - 1165
Theoretical study on S1(1B3u) state electronic structure and absorption spectrum of pyrazine RongXing HeChaoYuan ZhuSheng-Hsien Lin OriginalPaper 05 December 2008 Pages: 1166 - 1173
Density functional study of magnetic exchange of dinuclear manganese complexes with the heteropolymolyanion: [MnII 2(Xn+Mo9O33)2]2(n−10)− (X = PV, AsV, SeVI) Liang FangWei GuanLin Xu OriginalPaper 05 December 2008 Pages: 1174 - 1181
Hole polarons in poly(G)-poly(C) and poly(A)-poly(T) DNA molecules Peng CuiJian WuChengBu Liu OriginalPaper 05 December 2008 Pages: 1182 - 1186
A mechanistic study of CO removal on a small H-saturated platinum cluster ChengGang ZhouShuJuan YaoHanSong Cheng OriginalPaper 05 December 2008 Pages: 1187 - 1196
Singlet-triplet gaps in substituted carbenes predicted from block-correlated coupled cluster method Jun ShenTao FangShuhua Li OriginalPaper 05 December 2008 Pages: 1197 - 1202
Structural and electronic properties of single-walled carbon nanotubes adsorbed with 1-pyrenebutanoic acid, succinimidyl ester WenJie FanRuiQin Zhang OriginalPaper 05 December 2008 Pages: 1203 - 1210
Theoretical studies on Ru(fppz)2(CO)L (L = N-heterocyclic ligand): Electronic structure, absorption, phosphorescence, and solvatochromism Tao LiuXin ZhouHongXing Zhang OriginalPaper 05 December 2008 Pages: 1211 - 1220
Molecular dynamics simulations of LiCl association and NaCl association in water by means of ABEEM/MM Xin LiLiDong GongZhongZhi Yang OriginalPaper 05 December 2008 Pages: 1221 - 1230
Substituent effect on the molecular stability, group interaction, detonation performance, and thermolysis mechanism of nitroamino-substituted cyclopentanes and cyclohexanes Ling QiuXueDong GongHeMing Xiao OriginalPaper 05 December 2008 Pages: 1231 - 1245
Thermodynamics for nonequilibrium solvation and numerical evaluation of solvent reorganization energy XiangYuan LiJingBo WangFuCheng He OriginalPaper 05 December 2008 Pages: 1246 - 1256