【期刊论文】A Theoretical Study on the Electronic Structures of TiO_2:Effect of Hartree-Fock Exchange
李俊篯
【期刊论文】The interaction of N_2 with active sites of graphite:A theoretical study
李俊篯
【期刊论文】A DFT study for the coadsorption of Na and NO on TiO_2(110) surface
李俊篯
【期刊论文】The electronic structure and its theoretical simulation of carbon nanotube with finited length. Part Ⅰ:the frontier orbitals and its properties of short armchair nanotubes
李俊篯
【期刊论文】On the coverage-dependent orientation of benzene adsorbed on Cu(100): a density functional theory study
李俊篯
【期刊论文】Effect of halogen displacements on the exchange coupling in methyloxo-bridged binuclear copper (Ⅱ) complexes:a density functional study
李俊篯
【期刊论文】First-principles study on the geometries and electronic structures of clean and hydrogen-adsorbed NbC(111) surface
李俊篯
【期刊论文】Organic Functionalization of Diamond (100) by Addition Reactions of Carbene, Silylene, and Germylene:A Theoretical Prediction
李俊篯
【期刊论文】The interaction of N_2 with active sites of graphite a theoretical study
李俊篯
【期刊论文】Selective Oxidation of the TiC(001) Surface by O_2:Determined by the Surface States
李俊篯
【期刊论文】Theoretical study of adsorbed-decomposition of NO, CO and CH_2O on a TiO_2(110)(1×1) defect surface