DFT study of dihydrogen interactions with lithium containing organic complexes C4H4_Li.and C5H5_mLim (m = 1, 2)
interactions、study、molecular orbital、density functional theory、kinetic stability、hydrogen storage、charge transfer、binding energy、structures、energy gap、building、results、terms、means、LUMO、HOMO、DFT
06
O614.33(无机化学)
H.Zhang acknowledges financial support from the National Natural Science Foundation of China11074176;10976019;the support from Research Fund for the Doctoral Program of Higher Education of China20100181110080
2011-12-09(万方平台首次上网日期,不代表论文的发表时间)
231-235